Multilingual machine translation models can benefit from synergy between different language pairs, but also suffer from interference. While there is a growing number of sophisticated methods that aim to eliminate interference, our understanding of interference as a phenomenon is still limited. This work identifies the main factors that contribute to interference in multilingual machine translation. Through systematic experimentation, we find that interference (or synergy) are primarily determined by model size, data size, and the proportion of each language pair within the total dataset. We observe that substantial interference occurs mainly when the model is very small with respect to the available training data, and that using standard transformer configurations with less than one billion parameters largely alleviates interference and promotes synergy. Moreover, we show that tuning the sampling temperature to control the proportion of each language pair in the data is key to balancing the amount of interference between low and high resource language pairs effectively, and can lead to superior performance overall.  ( 2 min )

The field of cardiac electrophysiology tries to abstract, describe and finally model the electrical characteristics of a heartbeat. With recent advances in cardiac electrophysiology, models have become more powerful and descriptive as ever. However, to advance to the field of inverse electrophysiological modeling, i.e. creating models from electrical measurements such as the ECG, the less investigated field of smoothness of the simulated ECGs w.r.t. model parameters need to be further explored. The present paper discusses smoothness in terms of the whole pipeline which describes how from physiological parameters, we arrive at the simulated ECG. Employing such a pipeline, we create a test-bench of a simplified idealized left ventricle model and demonstrate the most important factors for efficient inverse modeling through smooth cost functionals. Such knowledge will be important for designing and creating inverse models in future optimization and machine learning methods.  ( 2 min )

The polynomial kernels are widely used in machine learning and they are one of the default choices to develop kernel-based classification and regression models. However, they are rarely used and considered in numerical analysis due to their lack of strict positive definiteness. In particular they do not enjoy the usual property of unisolvency for arbitrary point sets, which is one of the key properties used to build kernel-based interpolation methods. This paper is devoted to establish some initial results for the study of these kernels, and their related interpolation algorithms, in the context of approximation theory. We will first prove necessary and sufficient conditions on point sets which guarantee the existence and uniqueness of an interpolant. We will then study the Reproducing Kernel Hilbert Spaces (or native spaces) of these kernels and their norms, and provide inclusion relations between spaces corresponding to different kernel parameters. With these spaces at hand, it will be further possible to derive generic error estimates which apply to sufficiently smooth functions, thus escaping the native space. Finally, we will show how to employ an efficient stable algorithm to these kernels to obtain accurate interpolants, and we will test them in some numerical experiment. After this analysis several computational and theoretical aspects remain open, and we will outline possible further research directions in a concluding section. This work builds some bridges between kernel and polynomial interpolation, two topics to which the authors, to different extents, have been introduced under the supervision or through the work of Stefano De Marchi. For this reason, they wish to dedicate this work to him in the occasion of his 60th birthday.  ( 2 min )

The sensitivity of many physics analyses can be enhanced by constructing discriminants that preferentially select signal events. Such discriminants become much more useful if they are uncorrelated with a set of protected attributes. In this paper we show that a normalizing flow conditioned on the protected attributes can be used to find a decorrelated representation for any discriminant. As a normalizing flow is invertible the separation power of the resulting discriminant will be unchanged at any fixed value of the protected attributes. We demonstrate the efficacy of our approach by building supervised jet taggers that produce almost no sculpting in the mass distribution of the background.  ( 2 min )

We propose the Factorized Fourier Neural Operator (F-FNO), a learning-based approach for simulating partial differential equations (PDEs). Starting from a recently proposed Fourier representation of flow fields, the F-FNO bridges the performance gap between pure machine learning approaches to that of the best numerical or hybrid solvers. This is achieved with new representations - separable spectral layers and improved residual connections - and a combination of training strategies such as the Markov assumption, Gaussian noise, and cosine learning rate decay. On several challenging benchmark PDEs on regular grids, structured meshes, and point clouds, the F-FNO can scale to deeper networks and outperform both the FNO and the geo-FNO, reducing the error by 83% on the Navier-Stokes problem, 31% on the elasticity problem, 57% on the airfoil flow problem, and 60% on the plastic forging problem. Compared to the state-of-the-art pseudo-spectral method, the F-FNO can take a step size that is an order of magnitude larger in time and achieve an order of magnitude speedup to produce the same solution quality.  ( 2 min )

Time series, sets of sequences in chronological order, are essential data in statistical research with many forecasting applications. Although recent performance in many Transformer-based models has been noticeable, long multi-horizon time series forecasting remains a very challenging task. Going beyond transformers in sequence translation and transduction research, we observe the effects of down-and-up samplings that can nudge temporal saliency patterns to emerge in time sequences. Motivated by the mentioned observation, in this paper, we propose a novel architecture, Temporal Saliency Detection (TSD), on top of the attention mechanism and apply it to multi-horizon time series prediction. We renovate the traditional encoder-decoder architecture by making as a series of deep convolutional blocks to work in tandem with the multi-head self-attention. The proposed TSD approach facilitates the multiresolution of saliency patterns upon condensed multi-heads, thus progressively enhancing complex time series forecasting. Experimental results illustrate that our proposed approach has significantly outperformed existing state-of-the-art methods across multiple standard benchmark datasets in many far-horizon forecasting settings. Overall, TSD achieves 31% and 46% relative improvement over the current state-of-the-art models in multivariate and univariate time series forecasting scenarios on standard benchmarks. The Git repository is available at https://github.com/duongtrung/time-series-temporal-saliency-patterns.  ( 2 min )

A very recent trend in generative modeling is building 3D-aware generators from 2D image collections. To induce the 3D bias, such models typically rely on volumetric rendering, which is expensive to employ at high resolutions. During the past months, there appeared more than 10 works that address this scaling issue by training a separate 2D decoder to upsample a low-resolution image (or a feature tensor) produced from a pure 3D generator. But this solution comes at a cost: not only does it break multi-view consistency (i.e. shape and texture change when the camera moves), but it also learns the geometry in a low fidelity. In this work, we show that it is possible to obtain a high-resolution 3D generator with SotA image quality by following a completely different route of simply training the model patch-wise. We revisit and improve this optimization scheme in two ways. First, we design a location- and scale-aware discriminator to work on patches of different proportions and spatial positions. Second, we modify the patch sampling strategy based on an annealed beta distribution to stabilize training and accelerate the convergence. The resulted model, named EpiGRAF, is an efficient, high-resolution, pure 3D generator, and we test it on four datasets (two introduced in this work) at $256^2$ and $512^2$ resolutions. It obtains state-of-the-art image quality, high-fidelity geometry and trains ${\approx} 2.5 \times$ faster than the upsampler-based counterparts. Project website: https://universome.github.io/epigraf.  ( 2 min )

Designing powerful adversarial attacks is of paramount importance for the evaluation of $\ell_p$-bounded adversarial defenses. Projected Gradient Descent (PGD) is one of the most effective and conceptually simple algorithms to generate such adversaries. The search space of PGD is dictated by the steepest ascent directions of an objective. Despite the plethora of objective function choices, there is no universally superior option and robustness overestimation may arise from ill-suited objective selection. Driven by this observation, we postulate that the combination of different objectives through a simple loss alternating scheme renders PGD more robust towards design choices. We experimentally verify this assertion on a synthetic-data example and by evaluating our proposed method across 25 different $\ell_{\infty}$-robust models and 3 datasets. The performance improvement is consistent, when compared to the single loss counterparts. In the CIFAR-10 dataset, our strongest adversarial attack outperforms all of the white-box components of AutoAttack (AA) ensemble, as well as the most powerful attacks existing on the literature, achieving state-of-the-art results in the computational budget of our study ($T=100$, no restarts).  ( 2 min )

For planning of power systems and for the calibration of operational tools, it is essential to analyse system performance in a large range of representative scenarios. When the available historical data is limited, generative models are a promising solution, but modelling high-dimensional dependencies is challenging. In this paper, a multivariate load state generating model on the basis of a conditional variational autoencoder (CVAE) neural network is proposed. Going beyond common CVAE implementations, the model includes stochastic variation of output samples under given latent vectors and co-optimizes the parameters for this output variability. It is shown that this improves statistical properties of the generated data. The quality of generated multivariate loads is evaluated using univariate and multivariate performance metrics. A generation adequacy case study on the European network is used to illustrate model's ability to generate realistic tail distributions. The experiments demonstrate that the proposed generator outperforms other data generating mechanisms.  ( 2 min )

Key performance indicators(KPIs) are of great significance in the monitoring of wireless network service quality. The network service quality can be improved by adjusting relevant configuration parameters(CPs) of the base station. However, there are numerous CPs and different cells may affect each other, which bring great challenges to the association analysis of wireless network data. In this paper, we propose an adjustable multi-level association rule mining framework, which can quantitatively mine association rules at each level with environmental information, including engineering parameters and performance management(PMs), and it has interpretability at each level. Specifically, We first cluster similar cells, then quantify KPIs and CPs, and integrate expert knowledge into the association rule mining model, which improve the robustness of the model. The experimental results in real world dataset prove the effectiveness of our method.  ( 2 min )

Concept bottleneck models (CBMs) (Koh et al. 2020) are interpretable neural networks that first predict labels for human-interpretable concepts relevant to the prediction task, and then predict the final label based on the concept label predictions.We extend CBMs to interactive prediction settings where the model can query a human collaborator for the label to some concepts. We develop an interaction policy that, at prediction time, chooses which concepts to request a label for so as to maximally improve the final prediction. We demonstrate thata simple policy combining concept prediction uncertainty and influence of the concept on the final prediction achieves strong performance and outperforms a static approach proposed in Koh et al. (2020) as well as active feature acquisition methods proposed in the literature. We show that the interactiveCBM can achieve accuracy gains of 5-10% with only 5 interactions over competitive baselines on the Caltech-UCSDBirds, CheXpert and OAI datasets.  ( 2 min )

Events deviating from normal traffic patterns in driving, anomalies, such as aggressive driving or bumpy roads, may harm delivery efficiency for transportation and logistics (T&L) business. Thus, detecting anomalies in driving is critical for the T&L industry. So far numerous researches have used vehicle sensor data to identify anomalies. Most previous works captured anomalies by using deep learning or machine learning algorithms, which require prior training processes and huge computational costs. This study proposes a method namely Anomaly Detection in Driving by Cluster Analysis Twice (ADDCAT) which clusters the processed sensor data in different physical properties. An event is said to be an anomaly if it never fits with the major cluster, which is considered as the pattern of normality in driving. This method provides a way to detect anomalies in driving with no prior training processes and huge computational costs needed. This paper validated the performance of the method on an open dataset.  ( 2 min )

Reinforcement learning (RL) gained considerable attention by creating decision-making agents that maximize rewards received from fully observable environments. However, many real-world problems are partially or noisily observable by nature, where agents do not receive the true and complete state of the environment. Such problems are formulated as partially observable Markov decision processes (POMDPs). Some studies applied RL to POMDPs by recalling previous decisions and observations or inferring the true state of the environment from received observations. Nevertheless, aggregating observations and decisions over time is impractical for environments with high-dimensional continuous state and action spaces. Moreover, so-called inference-based RL approaches require large number of samples to perform well since agents eschew uncertainty in the inferred state for the decision-making. Active inference is a framework that is naturally formulated in POMDPs and directs agents to select decisions by minimising expected free energy (EFE). This supplies reward-maximising (exploitative) behaviour in RL, with an information-seeking (exploratory) behaviour. Despite this exploratory behaviour of active inference, its usage is limited to discrete state and action spaces due to the computational difficulty of the EFE. We propose a unified principle for joint information-seeking and reward maximization that clarifies a theoretical connection between active inference and RL, unifies active inference and RL, and overcomes their aforementioned limitations. Our findings are supported by strong theoretical analysis. The proposed framework's superior exploration property is also validated by experimental results on partial observable tasks with high-dimensional continuous state and action spaces. Moreover, the results show that our model solves reward-free problems, making task reward design optional.  ( 2 min )

Can we make virtual characters in a scene interact with their surrounding objects through simple instructions? Is it possible to synthesize such motion plausibly with a diverse set of objects and instructions? Inspired by these questions, we present the first framework to synthesize the full-body motion of virtual human characters performing specified actions with 3D objects placed within their reach. Our system takes as input textual instructions specifying the objects and the associated intentions of the virtual characters and outputs diverse sequences of full-body motions. This is in contrast to existing work, where full-body action synthesis methods generally do not consider object interactions, and human-object interaction methods focus mainly on synthesizing hand or finger movements for grasping objects. We accomplish our objective by designing an intent-driven full-body motion generator, which uses a pair of decoupled conditional variational autoencoders (CVAE) to learn the motion of the body parts in an autoregressive manner. We also optimize for the positions of the objects with six degrees of freedom (6DoF) such that they plausibly fit within the hands of the synthesized characters. We compare our proposed method with the existing methods of motion synthesis and establish a new and stronger state-of-the-art for the task of intent-driven motion synthesis. Through a user study, we further show that our synthesized full-body motions appear more realistic to the participants in more than 80% of scenarios compared to the current state-of-the-art methods, and are perceived to be as good as the ground truth on several occasions.

Large language models show improved downstream task performance when prompted to generate step-by-step reasoning to justify their final answers. These reasoning steps greatly improve model interpretability and verification, but objectively studying their correctness (independent of the final answer) is difficult without reliable methods for automatic evaluation. We simply do not know how often the stated reasoning steps actually support the final end task predictions. In this work, we present ROSCOE, a suite of interpretable, unsupervised automatic scores that improve and extend previous text generation evaluation metrics. To evaluate ROSCOE against baseline metrics, we design a typology of reasoning errors and collect synthetic and human evaluation scores on commonly used reasoning datasets. In contrast with existing metrics, ROSCOE can measure semantic consistency, logicality, informativeness, fluency, and factuality - among other traits - by leveraging properties of step-by-step rationales. We empirically verify the strength of our metrics on five human annotated and six programmatically perturbed diagnostics datasets - covering a diverse set of tasks that require reasoning skills and show that ROSCOE can consistently outperform baseline metrics.

The access to activity of subcortical structures offers unique opportunity for building intention dependent brain-computer interfaces, renders abundant options for exploring a broad range of cognitive phenomena in the realm of affective neuroscience including complex decision making processes and the eternal free-will dilemma and facilitates diagnostics of a range of neurological deceases. So far this was possible only using bulky, expensive and immobile fMRI equipment. Here we present an interpretable domain grounded solution to recover the activity of several subcortical regions from the multichannel EEG data and demonstrate up to 60% correlation between the actual subcortical blood oxygenation level dependent sBOLD signal and its EEG-derived twin. Then, using the novel and theoretically justified weight interpretation methodology we recover individual spatial and time-frequency patterns of scalp EEG predictive of the hemodynamic signal in the subcortical nuclei. The described results not only pave the road towards wearable subcortical activity scanners but also showcase an automatic knowledge discovery process facilitated by deep learning technology in combination with an interpretable domain constrained architecture and the appropriate downstream task.

Recent developments of advanced driver-assistance systems necessitate an increasing number of tests to validate new technologies. These tests cannot be carried out on track in a reasonable amount of time and automotive groups rely on simulators to perform most tests. The reliability of these simulators for constantly refined tasks is becoming an issue and, to increase the number of tests, the industry is now developing surrogate models, that should mimic the behavior of the simulator while being much faster to run on specific tasks. In this paper we aim to construct a surrogate model to mimic and replace the simulator. We first test several classical methods such as random forests, ridge regression or convolutional neural networks. Then we build three hybrid models that use all these methods and combine them to obtain an efficient hybrid surrogate model.

Deep learning based recommendation models (DLRM) are widely used in several business critical applications. Training such recommendation models efficiently is challenging primarily because they consist of billions of embedding-based parameters which are often stored remotely leading to significant overheads from embedding access. By profiling existing DLRM training, we observe that only 8.5% of the iteration time is spent in forward/backward pass while the remaining time is spent on embedding and model synchronization. Our key insight in this paper is that access to embeddings have a specific structure and pattern which can be used to accelerate training. We observe that embedding accesses are heavily skewed, with almost 1% of embeddings represent more than 92% of total accesses. Further, we observe that during training we can lookahead at future batches to determine exactly which embeddings will be needed at what iteration in the future. Based on these insight, we propose Bagpipe, a system for training deep recommendation models that uses caching and prefetching to overlap remote embedding accesses with the computation. We designed an Oracle Cacher, a new system component which uses our lookahead algorithm to generate optimal cache update decisions and provide strong consistency guarantees. Our experiments using three datasets and two models shows that our approach provides a speed up of up to 6.2x compared to state of the art baselines, while providing the same convergence and reproducibility guarantees as synchronous training.  ( 2 min )

We leverage path differentiability and a recent result on nonsmooth implicit differentiation calculus to give sufficient conditions ensuring that the solution to a monotone inclusion problem will be path differentiable, with formulas for computing its generalized gradient. A direct consequence of our result is that these solutions happen to be differentiable almost everywhere. Our approach is fully compatible with automatic differentiation and comes with assumptions which are easy to check, roughly speaking: semialgebraicity and strong monotonicity. We illustrate the scope of our results by considering three fundamental composite problem settings: strongly convex problems, dual solutions to convex minimization problems and primal-dual solutions to min-max problems.

Deep reinforcement learning has recently emerged as an appealing alternative for legged locomotion over multiple terrains by training a policy in physical simulation and then transferring it to the real world (i.e., sim-to-real transfer). Despite considerable progress, the capacity and scalability of traditional neural networks are still limited, which may hinder their applications in more complex environments. In contrast, the Transformer architecture has shown its superiority in a wide range of large-scale sequence modeling tasks, including natural language processing and decision-making problems. In this paper, we propose Terrain Transformer (TERT), a high-capacity Transformer model for quadrupedal locomotion control on various terrains. Furthermore, to better leverage Transformer in sim-to-real scenarios, we present a novel two-stage training framework consisting of an offline pretraining stage and an online correction stage, which can naturally integrate Transformer with privileged training. Extensive experiments in simulation demonstrate that TERT outperforms state-of-the-art baselines on different terrains in terms of return, energy consumption and control smoothness. In further real-world validation, TERT successfully traverses nine challenging terrains, including sand pit and stair down, which can not be accomplished by strong baselines.

Learned embeddings are widely used to obtain concise data representation and enable transfer learning between different data sets and tasks. In this paper, we present Silhouette, our approach that leverages publicly-available performance data sets to learn CPU embeddings. We show how these embeddings enable transfer learning between data sets of different types and sizes. Each of these scenarios leads to an improvement in accuracy for the target data set.  ( 2 min )

Current self-supervised learning algorithms are often modality-specific and require large amounts of computational resources. To address these issues, we increase the training efficiency of data2vec, a learning objective that generalizes across several modalities. We do not encode masked tokens, use a fast convolutional decoder and amortize the effort to build teacher representations. data2vec 2.0 benefits from the rich contextualized target representations introduced in data2vec which enable a fast self-supervised learner. Experiments on ImageNet-1K image classification show that data2vec 2.0 matches the accuracy of Masked Autoencoders in 16.4x lower pre-training time, on Librispeech speech recognition it performs as well as wav2vec 2.0 in 10.6x less time, and on GLUE natural language understanding it matches a retrained RoBERTa model in half the time. Trading some speed for accuracy results in ImageNet-1K top-1 accuracy of 86.8\% with a ViT-L model trained for 150 epochs.  ( 2 min )

Only limited studies and superficial evaluations are available on agents' behaviors and roles within a Multi-Agent System (MAS). We simulate a MAS using Reinforcement Learning (RL) in a pursuit-evasion (a.k.a predator-prey pursuit) game, which shares task goals with target acquisition, and we create different adversarial scenarios by replacing RL-trained pursuers' policies with two distinct (non-RL) analytical strategies. Using heatmaps of agents' positions (state-space variable) over time, we are able to categorize an RL-trained evader's behaviors. The novelty of our approach entails the creation of an influential feature set that reveals underlying data regularities, which allow us to classify an agent's behavior. This classification may aid in catching the (enemy) targets by enabling us to identify and predict their behaviors, and when extended to pursuers, this approach towards identifying teammates' behavior may allow agents to coordinate more effectively.

The International Atomic Energy Agency (IAEA) stopping power database is a highly valued public resource compiling most of the experimental measurements published over nearly a century. The database-accessible to the global scientific community-is continuously updated and has been extensively employed in theoretical and experimental research for more than 30 years. This work aims to employ machine learning algorithms on the 2021 IAEA database to predict accurate electronic stopping power cross sections for any ion and target combination in a wide range of incident energies. Unsupervised machine learning methods are applied to clean the database in an automated manner. These techniques purge the data by removing suspicious outliers and old isolated values. A large portion of the remaining data is used to train a deep neural network, while the rest is set aside, constituting the test set. The present work considers collisional systems only with atomic targets. The first version of the ESPNN (electronic stopping power neural-network code), openly available to users, is shown to yield predicted values in excellent agreement with the experimental results of the test set.

Learning monotonic models with respect to a subset of the inputs is a desirable feature to effectively address the fairness, interpretability, and generalization issues in practice. Existing methods for learning monotonic neural networks either require specifically designed model structures to ensure monotonicity, which can be too restrictive/complicated, or enforce monotonicity by adjusting the learning process, which cannot provably guarantee the learned model is monotonic on selected features. In this work, we propose to certify the monotonicity of the general piece-wise linear neural networks by solving a mixed integer linear programming problem.This provides a new general approach for learning monotonic neural networks with arbitrary model structures. Our method allows us to train neural networks with heuristic monotonicity regularizations, and we can gradually increase the regularization magnitude until the learned network is certified monotonic. Compared to prior works, our approach does not require human-designed constraints on the weight space and also yields more accurate approximation. Empirical studies on various datasets demonstrate the efficiency of our approach over the state-of-the-art methods, such as Deep Lattice Networks.

Privacy protection and nonconvexity are two challenging problems in decentralized optimization and learning involving sensitive data. Despite some recent advances addressing each of the two problems separately, no results have been reported that have theoretical guarantees on both privacy protection and saddle/maximum avoidance in decentralized nonconvex optimization. We propose a new algorithm for decentralized nonconvex optimization that can enable both rigorous differential privacy and saddle/maximum avoiding performance. The new algorithm allows the incorporation of persistent additive noise to enable rigorous differential privacy for data samples, gradients, and intermediate optimization variables without losing provable convergence, and thus circumventing the dilemma of trading accuracy for privacy in differential privacy design. More interestingly, the algorithm is theoretically proven to be able to efficiently { guarantee accuracy by avoiding} convergence to local maxima and saddle points, which has not been reported before in the literature on decentralized nonconvex optimization. The algorithm is efficient in both communication (it only shares one variable in each iteration) and computation (it is encryption-free), and hence is promising for large-scale nonconvex optimization and learning involving high-dimensional optimization parameters. Numerical experiments for both a decentralized estimation problem and an Independent Component Analysis (ICA) problem confirm the effectiveness of the proposed approach.

Since personal computers became widely available in the consumer market, the amount of harmful content on the internet has significantly expanded. In simple terms, harmful content is anything online which causes a person distress or harm. It may include hate speech, violent content, threats, non-hope speech, etc. The online content must be positive, uplifting and supportive. Over the past few years, many studies have focused on solving this problem through hate speech detection, but very few focused on identifying hope speech. This paper discusses various machine learning approaches to identify a sentence as Hope Speech, Non-Hope Speech, or a Neutral sentence. The dataset used in the study contains English YouTube comments and is released as a part of the shared task "EACL-2021: Hope Speech Detection for Equality, Diversity, and Inclusion". Initially, the dataset obtained from the shared task had three classes: Hope Speech, non-Hope speech, and not in English; however, upon deeper inspection, we discovered that dataset relabeling is required. A group of undergraduates was hired to help perform the entire dataset's relabeling task. We experimented with conventional machine learning models (such as Na\"ive Bayes, logistic regression and support vector machine) and pre-trained models (such as BERT) on relabeled data. According to the experimental results, the relabeled data has achieved a better accuracy for Hope speech identification than the original data set.

Due to the usefulness in data enrichment for data analysis tasks, joinable table discovery has become an important operation in data lake management. Existing approaches target equi-joins, the most common way of combining tables for creating a unified view, or semantic joins, which tolerate misspellings and different formats to deliver more join results. They are either exact solutions whose running time is linear in the sizes of query column and target table repository or approximate solutions lacking precision. In this paper, we propose Deepjoin, a deep learning model for accurate and efficient joinable table discovery. Our solution is an embedding-based retrieval, which employs a pre-trained language model (PLM) and is designed as one framework serving both equi- and semantic joins. We propose a set of contextualization options to transform column contents to a text sequence. The PLM reads the sequence and is fine-tuned to embed columns to vectors such that columns are expected to be joinable if they are close to each other in the vector space. Since the output of the PLM is fixed in length, the subsequent search procedure becomes independent of the column size. With a state-of-the-art approximate nearest neighbor search algorithm, the search time is logarithmic in the repository size. To train the model, we devise the techniques for preparing training data as well as data augmentation. The experiments on real datasets demonstrate that by training on a small subset of a corpus, Deepjoin generalizes to large datasets and its precision consistently outperforms other approximate solutions'. Deepjoin is even more accurate than an exact solution to semantic joins when evaluated with labels from experts. Moreover, when equipped with a GPU, Deepjoin is up to two orders of magnitude faster than existing solutions.

Accurate airway extraction from computed tomography (CT) images is a critical step for planning navigation bronchoscopy and quantitative assessment of airway-related chronic obstructive pulmonary disease (COPD). The existing methods are challenging to sufficiently segment the airway, especially the high-generation airway, with the constraint of the limited label and cannot meet the clinical use in COPD. We propose a novel two-stage 3D contextual transformer-based U-Net for airway segmentation using CT images. The method consists of two stages, performing initial and refined airway segmentation. The two-stage model shares the same subnetwork with different airway masks as input. Contextual transformer block is performed both in the encoder and decoder path of the subnetwork to finish high-quality airway segmentation effectively. In the first stage, the total airway mask and CT images are provided to the subnetwork, and the intrapulmonary airway mask and corresponding CT scans to the subnetwork in the second stage. Then the predictions of the two-stage method are merged as the final prediction. Extensive experiments were performed on in-house and multiple public datasets. Quantitative and qualitative analysis demonstrate that our proposed method extracted much more branches and lengths of the tree while accomplishing state-of-the-art airway segmentation performance. The code is available at https://github.com/zhaozsq/airway_segmentation.

Cooperative beamforming design has been recognized as an effective approach in modern wireless networks to meet the dramatically increasing demand of various wireless data traffics. It is formulated as an optimization problem in conventional approaches and solved iteratively in an instance-by-instance manner. Recently, learning-based methods have emerged with real-time implementation by approximating the mapping function from the problem instances to the corresponding solutions. Among various neural network architectures, graph neural networks (GNNs) can effectively utilize the graph topology in wireless networks to achieve better generalization ability on unseen problem sizes. However, the current GNNs are only equipped with the node-update mechanism, which restricts it from modeling more complicated problems such as the cooperative beamforming design, where the beamformers are on the graph edges of wireless networks. To fill this gap, we propose an edge-graph-neural-network (Edge-GNN) by incorporating an edge-update mechanism into the GNN, which learns the cooperative beamforming on the graph edges. Simulation results show that the proposed Edge-GNN achieves higher sum rate with much shorter computation time than state-of-the-art approaches, and generalizes well to different numbers of base stations and user equipments.

A methodology is proposed, which addresses the caveat that line-of-sight emission spectroscopy presents in that it cannot provide spatially resolved temperature measurements in nonhomogeneous temperature fields. The aim of this research is to explore the use of data-driven models in measuring temperature distributions in a spatially resolved manner using emission spectroscopy data. Two categories of data-driven methods are analyzed: (i) Feature engineering and classical machine learning algorithms, and (ii) end-to-end convolutional neural networks (CNN). In total, combinations of fifteen feature groups and fifteen classical machine learning models, and eleven CNN models are considered and their performances explored. The results indicate that the combination of feature engineering and machine learning provides better performance than the direct use of CNN. Notably, feature engineering which is comprised of physics-guided transformation, signal representation-based feature extraction and Principal Component Analysis is found to be the most effective. Moreover, it is shown that when using the extracted features, the ensemble-based, light blender learning model offers the best performance with RMSE, RE, RRMSE and R values of 64.3, 0.017, 0.025 and 0.994, respectively. The proposed method, based on feature engineering and the light blender model, is capable of measuring nonuniform temperature distributions from low-resolution spectra, even when the species concentration distribution in the gas mixtures is unknown.

We introduce and analyze Structured Stochastic Zeroth order Descent (S-SZD), a finite difference approach which approximates a stochastic gradient on a set of $l\leq d$ orthogonal directions, where $d$ is the dimension of the ambient space. These directions are randomly chosen, and may change at each step. For smooth convex functions we prove almost sure convergence of the iterates and a convergence rate on the function values of the form $O(d/l k^{-c})$ for every $c<1/2$, which is arbitrarily close to the one of Stochastic Gradient Descent (SGD) in terms of number of iterations. Our bound also shows the benefits of using $l$ multiple directions instead of one. For non-convex functions satisfying the Polyak-{\L}ojasiewicz condition, we establish the first convergence rates for stochastic zeroth order algorithms under such an assumption. We corroborate our theoretical findings in numerical simulations where assumptions are satisfied and on the real-world problem of hyper-parameter optimization, observing that S-SZD has very good practical performances.

Humans are spectacular reinforcement learners, constantly learning from and adjusting to experience and feedback. Unfortunately, this doesn't necessarily mean humans are fast learners. When tasks are challenging, learning can become unacceptably slow. Fortunately, humans do not have to learn tabula rasa, and learning speed can be greatly increased with learning aids. In this work we validate a new type of learning aid -- reward shaping for humans via inverse reinforcement learning (IRL). The goal of this aid is to increase the speed with which humans can learn good policies for specific tasks. Furthermore this approach compliments alternative machine learning techniques such as safety features that try to prevent individuals from making poor decisions. To achieve our results we first extend a well known IRL algorithm via kernel methods. Afterwards we conduct two human subjects experiments using an online game where players have limited time to learn a good policy. We show with statistical significance that players who receive our learning aid are able to approach desired policies more quickly than the control group.

Transformers have become the state-of-the-art neural network architecture across numerous domains of machine learning. This is partly due to their celebrated ability to transfer and to learn in-context based on few examples. Nevertheless, the mechanisms by which Transformers become in-context learners are not well understood and remain mostly an intuition. Here, we argue that training Transformers on auto-regressive tasks can be closely related to well-known gradient-based meta-learning formulations. We start by providing a simple weight construction that shows the equivalence of data transformations induced by 1) a single linear self-attention layer and by 2) gradient-descent (GD) on a regression loss. Motivated by that construction, we show empirically that when training self-attention-only Transformers on simple regression tasks either the models learned by GD and Transformers show great similarity or, remarkably, the weights found by optimization match the construction. Thus we show how trained Transformers implement gradient descent in their forward pass. This allows us, at least in the domain of regression problems, to mechanistically understand the inner workings of optimized Transformers that learn in-context. Furthermore, we identify how Transformers surpass plain gradient descent by an iterative curvature correction and learn linear models on deep data representations to solve non-linear regression tasks. Finally, we discuss intriguing parallels to a mechanism identified to be crucial for in-context learning termed induction-head (Olsson et al., 2022) and show how it could be understood as a specific case of in-context learning by gradient descent learning within Transformers.

Over-approximating the reachable sets of dynamical systems is a fundamental problem in safety verification and robust control synthesis. The representation of these sets is a key factor that affects the computational complexity and the approximation error. In this paper, we develop a new approach for over-approximating the reachable sets of neural network dynamical systems using adaptive template polytopes. We use the singular value decomposition of linear layers along with the shape of the activation functions to adapt the geometry of the polytopes at each time step to the geometry of the true reachable sets. We then propose a branch-and-bound method to compute accurate over-approximations of the reachable sets by the inferred templates. We illustrate the utility of the proposed approach in the reachability analysis of linear systems driven by neural network controllers.

Value factorisation is a useful technique for multi-agent reinforcement learning (MARL) in global reward game, however its underlying mechanism is not yet fully understood. This paper studies a theoretical framework for value factorisation with interpretability via Shapley value theory. We generalise Shapley value to Markov convex game called Markov Shapley value (MSV) and apply it as a value factorisation method in global reward game, which is obtained by the equivalence between the two games. Based on the properties of MSV, we derive Shapley-Bellman optimality equation (SBOE) to evaluate the optimal MSV, which corresponds to an optimal joint deterministic policy. Furthermore, we propose Shapley-Bellman operator (SBO) that is proved to solve SBOE. With a stochastic approximation and some transformations, a new MARL algorithm called Shapley Q-learning (SHAQ) is established, the implementation of which is guided by the theoretical results of SBO and MSV. We also discuss the relationship between SHAQ and relevant value factorisation methods. In the experiments, SHAQ exhibits not only superior performances on all tasks but also the interpretability that agrees with the theoretical analysis. The implementation of this paper is on https://github.com/hsvgbkhgbv/shapley-q-learning.

With the growing need to reduce energy consumption and greenhouse gas emissions, Eco-driving strategies provide a significant opportunity for additional fuel savings on top of other technological solutions being pursued in the transportation sector. In this paper, a model-free deep reinforcement learning (RL) control agent is proposed for active Eco-driving assistance that trades-off fuel consumption against other driver-accommodation objectives, and learns optimal traction torque and transmission shifting policies from experience. The training scheme for the proposed RL agent uses an off-policy actor-critic architecture that iteratively does policy evaluation with a multi-step return and policy improvement with the maximum posteriori policy optimization algorithm for hybrid action spaces. The proposed Eco-driving RL agent is implemented on a commercial vehicle in car following traffic. It shows superior performance in minimizing fuel consumption compared to a baseline controller that has full knowledge of fuel-efficiency tables.  ( 2 min )

Surrogate models are necessary to optimize meaningful quantities in physical dynamics as their recursive numerical resolutions are often prohibitively expensive. It is mainly the case for fluid dynamics and the resolution of Navier-Stokes equations. However, despite the fast-growing field of data-driven models for physical systems, reference datasets representing real-world phenomena are lacking. In this work, we develop AirfRANS, a dataset for studying the two-dimensional incompressible steady-state Reynolds-Averaged Navier-Stokes equations over airfoils at a subsonic regime and for different angles of attacks. We also introduce metrics on the stress forces at the surface of geometries and visualization of boundary layers to assess the capabilities of models to accurately predict the meaningful information of the problem. Finally, we propose deep learning baselines on four machine learning tasks to study AirfRANS under different constraints for generalization considerations: big and scarce data regime, Reynolds number, and angle of attack extrapolation.

The application of reinforcement learning in credit scoring has created a unique setting for contextual logistic bandit that does not conform to the usual exploration-exploitation tradeoff but rather favors exploration-free algorithms. Through sufficient randomness in a pool of observable contexts, the reinforcement learning agent can simultaneously exploit an action with the highest reward while still learning more about the structure governing that environment. Thus, it is the case that greedy algorithms consistently outperform algorithms with efficient exploration, such as Thompson sampling. However, in a more pragmatic scenario in credit scoring, lenders can, to a degree, classify each borrower as a separate group, and learning about the characteristics of each group does not infer any information to another group. Through extensive simulations, we show that Thompson sampling dominates over greedy algorithms given enough timesteps which increase with the complexity of underlying features.

Word embeddings are extensively used in various NLP problems as a state-of-the-art semantic feature vector representation. Despite their success on various tasks and domains, they might exhibit an undesired bias for stereotypical categories due to statistical and societal biases that exist in the dataset they are trained on. In this study, we analyze the gender bias in four different pre-trained word embeddings specifically for the depression category in the mental disorder domain. We use contextual and non-contextual embeddings that are trained on domain-independent as well as clinical domain-specific data. We observe that embeddings carry bias for depression towards different gender groups depending on the type of embeddings. Moreover, we demonstrate that these undesired correlations are transferred to the downstream task for depression phenotype recognition. We find that data augmentation by simply swapping gender words mitigates the bias significantly in the downstream task.

In the field of multimodal sentiment analysis (MSA), a few studies have leveraged the inherent modality correlation information stored in samples for self-supervised learning. However, they feed the training pairs in a random order without consideration of difficulty. Without human annotation, the generated training pairs of self-supervised learning often contain noise. If noisy or hard pairs are used for training at the easy stage, the model might be stuck in bad local optimum. In this paper, we inject curriculum learning into weakly supervised modality correlation learning. The weakly supervised correlation learning leverages the label information to generate scores for negative pairs to learn a more discriminative embedding space, where negative pairs are defined as two unimodal embeddings from different samples. To assist the correlation learning, we feed the training pairs to the model according to difficulty by the proposed curriculum learning, which consists of elaborately designed scoring and feeding functions. The scoring function computes the difficulty of pairs using pre-trained and current correlation predictors, where the pairs with large losses are defined as hard pairs. Notably, the hardest pairs are discarded in our algorithm, which are assumed as noisy pairs. Moreover, the feeding function takes the difference of correlation losses as feedback to determine the feeding actions (`stay', `step back', or `step forward'). The proposed method reaches state-of-the-art performance on MSA.

In heterogeneous networks (HetNets), the overlap of small cells and the macro cell causes severe cross-tier interference. Although there exist some approaches to address this problem, they usually require global channel state information, which is hard to obtain in practice, and get the sub-optimal power allocation policy with high computational complexity. To overcome these limitations, we propose a multi-agent deep reinforcement learning (MADRL) based power control scheme for the HetNet, where each access point makes power control decisions independently based on local information. To promote cooperation among agents, we develop a penalty-based Q learning (PQL) algorithm for MADRL systems. By introducing regularization terms in the loss function, each agent tends to choose an experienced action with high reward when revisiting a state, and thus the policy updating speed slows down. In this way, an agent's policy can be learned by other agents more easily, resulting in a more efficient collaboration process. We then implement the proposed PQL in the considered HetNet and compare it with other distributed-training-and-execution (DTE) algorithms. Simulation results show that our proposed PQL can learn the desired power control policy from a dynamic environment where the locations of users change episodically and outperform existing DTE MADRL algorithms.

Recent efforts in Neural Rendering Fields (NeRF) have shown impressive results on novel view synthesis by utilizing implicit neural representation to represent 3D scenes. Due to the process of volumetric rendering, the inference speed for NeRF is extremely slow, limiting the application scenarios of utilizing NeRF on resource-constrained hardware, such as mobile devices. Many works have been conducted to reduce the latency of running NeRF models. However, most of them still require high-end GPU for acceleration or extra storage memory, which is all unavailable on mobile devices. Another emerging direction utilizes the neural light field (NeLF) for speedup, as only one forward pass is performed on a ray to predict the pixel color. Nevertheless, to reach a similar rendering quality as NeRF, the network in NeLF is designed with intensive computation, which is not mobile-friendly. In this work, we propose an efficient network that runs in real-time on mobile devices for neural rendering. We follow the setting of NeLF to train our network. Unlike existing works, we introduce a novel network architecture that runs efficiently on mobile devices with low latency and small size, i.e., saving $15\times \sim 24\times$ storage compared with MobileNeRF. Our model achieves high-resolution generation while maintaining real-time inference for both synthetic and real-world scenes on mobile devices, e.g., $18.04$ms (iPhone 13) for rendering one $1008\times756$ image of real 3D scenes. Additionally, we achieve similar image quality as NeRF and better quality than MobileNeRF (PSNR $26.15$ vs. $25.91$ on the real-world forward-facing dataset).  ( 2 min )

In this work, we propose a novel generative model for mapping inputs to structured, high-dimensional outputs using structured conditional normalizing flows and Gaussian process regression. The model is motivated by the need to characterize uncertainty in the input/output relationship when making inferences on new data. In particular, in the physical sciences, limited training data may not adequately characterize future observed data; it is critical that models adequately indicate uncertainty, particularly when they may be asked to extrapolate. In our proposed model, structured conditional normalizing flows provide parsimonious latent representations that relate to the inputs through a Gaussian process, providing exact likelihood calculations and uncertainty that naturally increases away from the training data inputs. We demonstrate the methodology on laser-induced breakdown spectroscopy data from the ChemCam instrument onboard the Mars rover Curiosity. ChemCam was designed to recover the chemical composition of rock and soil samples by measuring the spectral properties of plasma atomic emissions induced by a laser pulse. We show that our model can generate realistic spectra conditional on a given chemical composition and that we can use the model to perform uncertainty quantification of chemical compositions for new observed spectra. Based on our results, we anticipate that our proposed modeling approach may be useful in other scientific domains with high-dimensional, complex structure where it is important to quantify predictive uncertainty.  ( 2 min )

Machine Learning (ML) approaches have been used to enhance the detection capabilities of Network Intrusion Detection Systems (NIDSs). Recent work has achieved near-perfect performance by following binary- and multi-class network anomaly detection tasks. Such systems depend on the availability of both (benign and malicious) network data classes during the training phase. However, attack data samples are often challenging to collect in most organisations due to security controls preventing the penetration of known malicious traffic to their networks. Therefore, this paper proposes a Deep One-Class (DOC) classifier for network intrusion detection by only training on benign network data samples. The novel one-class classification architecture consists of a histogram-based deep feed-forward classifier to extract useful network data features and use efficient outlier detection. The DOC classifier has been extensively evaluated using two benchmark NIDS datasets. The results demonstrate its superiority over current state-of-the-art one-class classifiers in terms of detection and false positive rates.  ( 2 min )

Eco-driving strategies have been shown to provide significant reductions in fuel consumption. This paper outlines an active driver assistance approach that uses a residual policy learning (RPL) agent trained to provide residual actions to default power train controllers while balancing fuel consumption against other driver-accommodation objectives. Using previous experiences, our RPL agent learns improved traction torque and gear shifting residual policies to adapt the operation of the powertrain to variations and uncertainties in the environment. For comparison, we consider a traditional reinforcement learning (RL) agent trained from scratch. Both agents employ the off-policy Maximum A Posteriori Policy Optimization algorithm with an actor-critic architecture. By implementing on a simulated commercial vehicle in various car-following scenarios, we find that the RPL agent quickly learns significantly improved policies compared to a baseline source policy but in some measures not as good as those eventually possible with the RL agent trained from scratch.

Studying facial expressions is a notoriously difficult endeavor. Recent advances in the field of affective computing have yielded impressive progress in automatically detecting facial expressions from pictures and videos. However, much of this work has yet to be widely disseminated in social science domains such as psychology. Current state of the art models require considerable domain expertise that is not traditionally incorporated into social science training programs. Furthermore, there is a notable absence of user-friendly and open-source software that provides a comprehensive set of tools and functions that support facial expression research. In this paper, we introduce Py-Feat, an open-source Python toolbox that provides support for detecting, preprocessing, analyzing, and visualizing facial expression data. Py-Feat makes it easy for domain experts to disseminate and benchmark computer vision models and also for end users to quickly process, analyze, and visualize face expression data. We hope this platform will facilitate increased use of facial expression data in human behavior research.

The identification of material parameters occurring in constitutive models has a wide range of applications in practice. One of these applications is the monitoring and assessment of the actual condition of infrastructure buildings, as the material parameters directly reflect the resistance of the structures to external impacts. Physics-informed neural networks (PINNs) have recently emerged as a suitable method for solving inverse problems. The advantages of this method are a straightforward inclusion of observation data. Unlike grid-based methods, such as the finite element method updating (FEMU) approach, no computational grid and no interpolation of the data is required. In the current work, we aim to further develop PINNs towards the calibration of the linear-elastic constitutive model from full-field displacement and global force data in a realistic regime. We show that normalization and conditioning of the optimization problem play a crucial role in this process. Therefore, among others, we identify the material parameters for initial estimates and balance the individual terms in the loss function. In order to reduce the dependence of the identified material parameters on local errors in the displacement approximation, we base the identification not on the stress boundary conditions but instead on the global balance of internal and external work. In addition, we found that we get a better posed inverse problem if we reformulate it in terms of bulk and shear modulus instead of Young's modulus and Poisson's ratio. We demonstrate that the enhanced PINNs are capable of identifying material parameters from both experimental one-dimensional data and synthetic full-field displacement data in a realistic regime. Since displacement data measured by, e.g., a digital image correlation (DIC) system is noisy, we additionally investigate the robustness of the method to different levels of noise.

Many, if not most, systems of interest in science are naturally described as nonlinear dynamical systems (DS). Empirically, we commonly access these systems through time series measurements, where often we have time series from different types of data modalities simultaneously. For instance, we may have event counts in addition to some continuous signal. While by now there are many powerful machine learning (ML) tools for integrating different data modalities into predictive models, this has rarely been approached so far from the perspective of uncovering the underlying, data-generating DS (aka DS reconstruction). Recently, sparse teacher forcing (TF) has been suggested as an efficient control-theoretic method for dealing with exploding loss gradients when training ML models on chaotic DS. Here we incorporate this idea into a novel recurrent neural network (RNN) training framework for DS reconstruction based on multimodal variational autoencoders (MVAE). The forcing signal for the RNN is generated by the MVAE which integrates different types of simultaneously given time series data into a joint latent code optimal for DS reconstruction. We show that this training method achieves significantly better reconstructions on multimodal datasets generated from chaotic DS benchmarks than various alternative methods.

Spatial audio methods are gaining a growing interest due to the spread of immersive audio experiences and applications, such as virtual and augmented reality. For these purposes, 3D audio signals are often acquired through arrays of Ambisonics microphones, each comprising four capsules that decompose the sound field in spherical harmonics. In this paper, we propose a dual quaternion representation of the spatial sound field acquired through an array of two First Order Ambisonics (FOA) microphones. The audio signals are encapsulated in a dual quaternion that leverages quaternion algebra properties to exploit correlations among them. This augmented representation with 6 degrees of freedom (6DOF) involves a more accurate coverage of the sound field, resulting in a more precise sound localization and a more immersive audio experience. We evaluate our approach on a sound event localization and detection (SELD) benchmark. We show that our dual quaternion SELD model with temporal convolution blocks (DualQSELD-TCN) achieves better results with respect to real and quaternion-valued baselines thanks to our augmented representation of the sound field. Full code is available at: https://github.com/ispamm/DualQSELD-TCN.

The availability of challenging benchmarks has played a key role in the recent progress of machine learning. In cooperative multi-agent reinforcement learning, the StarCraft Multi-Agent Challenge (SMAC) has become a popular testbed for centralised training with decentralised execution. However, after years of sustained improvement on SMAC, algorithms now achieve near-perfect performance. In this work, we conduct new analysis demonstrating that SMAC is not sufficiently stochastic to require complex closed-loop policies. In particular, we show that an open-loop policy conditioned only on the timestep can achieve non-trivial win rates for many SMAC scenarios. To address this limitation, we introduce SMACv2, a new version of the benchmark where scenarios are procedurally generated and require agents to generalise to previously unseen settings (from the same distribution) during evaluation. We show that these changes ensure the benchmark requires the use of closed-loop policies. We evaluate state-of-the-art algorithms on SMACv2 and show that it presents significant challenges not present in the original benchmark. Our analysis illustrates that SMACv2 addresses the discovered deficiencies of SMAC and can help benchmark the next generation of MARL methods. Videos of training are available at https://sites.google.com/view/smacv2

A generalized understanding of protein dynamics is an unsolved scientific problem, the solution of which is critical to the interpretation of the structure-function relationships that govern essential biological processes. Here, we approach this problem by constructing coarse-grained molecular potentials based on artificial neural networks and grounded in statistical mechanics. For training, we build a unique dataset of unbiased all-atom molecular dynamics simulations of approximately 9 ms for twelve different proteins with multiple secondary structure arrangements. The coarse-grained models are capable of accelerating the dynamics by more than three orders of magnitude while preserving the thermodynamics of the systems. Coarse-grained simulations identify relevant structural states in the ensemble with comparable energetics to the all-atom systems. Furthermore, we show that a single coarse-grained potential can integrate all twelve proteins and can capture experimental structural features of mutated proteins. These results indicate that machine learning coarse-grained potentials could provide a feasible approach to simulate and understand protein dynamics.

Dependency hell is a well-known pain point in the development of large software projects and machine learning (ML) code bases are not immune from it. In fact, ML applications suffer from an additional form, namely, "data source dependency hell". This term refers to the central role played by data and its unique quirks that often lead to unexpected failures of ML models which cannot be explained by code changes. In this paper, we present an automated dependency mapping framework that allows MLOps engineers to monitor the whole dependency map of their models in a fast paced engineering environment and thus mitigate ahead of time the consequences of any data source changes (e.g., re-train model, ignore data, set default data etc.). Our system is based on a unified and generic approach, employing techniques from static analysis, from which data sources can be identified reliably for any type of dependency on a wide range of source languages and artefacts. The dependency mapping framework is exposed as a REST web API where the only input is the path to the Git repository hosting the code base. Currently used by MLOps engineers at Microsoft, we expect such dependency map APIs to be adopted more widely by MLOps engineers in the future.

In this paper, we present a study of regret and its expression on social media platforms. Specifically, we present a novel dataset of Reddit texts that have been classified into three classes: Regret by Action, Regret by Inaction, and No Regret. We then use this dataset to investigate the language used to express regret on Reddit and to identify the domains of text that are most commonly associated with regret. Our findings show that Reddit users are most likely to express regret for past actions, particularly in the domain of relationships. We also found that deep learning models using GloVe embedding outperformed other models in all experiments, indicating the effectiveness of GloVe for representing the meaning and context of words in the domain of regret. Overall, our study provides valuable insights into the nature and prevalence of regret on social media, as well as the potential of deep learning and word embeddings for analyzing and understanding emotional language in online text. These findings have implications for the development of natural language processing algorithms and the design of social media platforms that support emotional expression and communication.

The reconstruction of images from their corresponding noisy Radon transform is a typical example of an ill-posed linear inverse problem as arising in the application of computerized tomography (CT). As the (na\"{\i}ve) solution does not depend on the measured data continuously, regularization is needed to re-establish a continuous dependence. In this work, we investigate simple, but yet still provably convergent approaches to learning linear regularization methods from data. More specifically, we analyze two approaches: One generic linear regularization that learns how to manipulate the singular values of the linear operator in an extension of [1], and one tailored approach in the Fourier domain that is specific to CT-reconstruction. We prove that such approaches become convergent regularization methods as well as the fact that the reconstructions they provide are typically much smoother than the training data they were trained on. Finally, we compare the spectral as well as the Fourier-based approaches for CT-reconstruction numerically, discuss their advantages and disadvantages and investigate the effect of discretization errors at different resolutions.

Existing analyses of neural network training often operate under the unrealistic assumption of an extremely small learning rate. This lies in stark contrast to practical wisdom and empirical studies, such as the work of J. Cohen et al. (ICLR 2021), which exhibit startling new phenomena (the "edge of stability" or "unstable convergence") and potential benefits for generalization in the large learning rate regime. Despite a flurry of recent works on this topic, however, the latter effect is still poorly understood. In this paper, we take a step towards understanding genuinely non-convex training dynamics with large learning rates by performing a detailed analysis of gradient descent for simplified models of two-layer neural networks. For these models, we provably establish the edge of stability phenomenon and discover a sharp phase transition for the step size below which the neural network fails to learn "threshold-like" neurons (i.e., neurons with a non-zero first-layer bias). This elucidates one possible mechanism by which the edge of stability can in fact lead to better generalization, as threshold neurons are basic building blocks with useful inductive bias for many tasks.

Boundary conditions (BCs) are important groups of physics-enforced constraints that are necessary for solutions of Partial Differential Equations (PDEs) to satisfy at specific spatial locations. These constraints carry important physical meaning, and guarantee the existence and the uniqueness of the PDE solution. Current neural-network based approaches that aim to solve PDEs rely only on training data to help the model learn BCs implicitly. There is no guarantee of BC satisfaction by these models during evaluation. In this work, we propose Boundary enforcing Operator Network (BOON) that enables the BC satisfaction of neural operators by making structural changes to the operator kernel. We provide our refinement procedure, and demonstrate the satisfaction of physics-based BCs, e.g. Dirichlet, Neumann, and periodic by the solutions obtained by BOON. Numerical experiments based on multiple PDEs with a wide variety of applications indicate that the proposed approach ensures satisfaction of BCs, and leads to more accurate solutions over the entire domain. The proposed correction method exhibits a (2X-20X) improvement over a given operator model in relative $L^2$ error (0.000084 relative $L^2$ error for Burgers' equation).

We present a novel corpus for French dialect identification comprising 413,522 French text samples collected from public news websites in Belgium, Canada, France and Switzerland. To ensure an accurate estimation of the dialect identification performance of models, we designed the corpus to eliminate potential biases related to topic, writing style, and publication source. More precisely, the training, validation and test splits are collected from different news websites, while searching for different keywords (topics). This leads to a French cross-domain (FreCDo) dialect identification task. We conduct experiments with four competitive baselines, a fine-tuned CamemBERT model, an XGBoost based on fine-tuned CamemBERT features, a Support Vector Machines (SVM) classifier based on fine-tuned CamemBERT features, and an SVM based on word n-grams. Aside from presenting quantitative results, we also make an analysis of the most discriminative features learned by CamemBERT. Our corpus is available at https://github.com/MihaelaGaman/FreCDo.

Can we take a recurrent neural network (RNN) trained to translate between languages and augment it to support a new natural language without retraining the model from scratch? Can we fix the faulty behavior of the RNN by replacing portions associated with the faulty behavior? Recent works on decomposing a fully connected neural network (FCNN) and convolutional neural network (CNN) into modules have shown the value of engineering deep models in this manner, which is standard in traditional SE but foreign for deep learning models. However, prior works focus on the image-based multiclass classification problems and cannot be applied to RNN due to (a) different layer structures, (b) loop structures, (c) different types of input-output architectures, and (d) usage of both nonlinear and logistic activation functions. In this work, we propose the first approach to decompose an RNN into modules. We study different types of RNNs, i.e., Vanilla, LSTM, and GRU. Further, we show how such RNN modules can be reused and replaced in various scenarios. We evaluate our approach against 5 canonical datasets (i.e., Math QA, Brown Corpus, Wiki-toxicity, Clinc OOS, and Tatoeba) and 4 model variants for each dataset. We found that decomposing a trained model has a small cost (Accuracy: -0.6%, BLEU score: +0.10%). Also, the decomposed modules can be reused and replaced without needing to retrain.

Vision transformers (ViTs) have achieved impressive results on various computer vision tasks in the last several years. In this work, we study the capability of frozen ViTs, pretrained only on visual data, to generalize to audio-visual data without finetuning any of its original parameters. To do so, we propose a latent audio-visual hybrid (LAVISH) adapter that adapts pretrained ViTs to audio-visual tasks by injecting a small number of trainable parameters into every layer of a frozen ViT. To efficiently fuse visual and audio cues, our LAVISH adapter uses a small set of latent tokens, which form an attention bottleneck, thus, eliminating the quadratic cost of standard cross-attention. Compared to the existing modality-specific audio-visual methods, our approach achieves competitive or even better performance on various audio-visual tasks while using fewer tunable parameters and without relying on costly audio pretraining or external audio encoders. Our code is available at https://genjib.github.io/project_page/LAVISH/

This document describes strategies for using Artificial Intelligence (AI) to predict some journal article scores in future research assessment exercises. Five strategies have been assessed.

Modern virtual assistants use internal semantic parsing engines to convert user utterances to actionable commands. However, prior work has demonstrated that semantic parsing is a difficult multilingual transfer task with low transfer efficiency compared to other tasks. In global markets such as India and Latin America, this is a critical issue as switching between languages is prevalent for bilingual users. In this work we dramatically improve the zero-shot performance of a multilingual and codeswitched semantic parsing system using two stages of multilingual alignment. First, we show that constrastive alignment pretraining improves both English performance and transfer efficiency. We then introduce a constrained optimization approach for hyperparameter-free adversarial alignment during finetuning. Our Doubly Aligned Multilingual Parser (DAMP) improves mBERT transfer performance by 3x, 6x, and 81x on the Spanglish, Hinglish and Multilingual Task Oriented Parsing benchmarks respectively and outperforms XLM-R and mT5-Large using 3.2x fewer parameters.

We consider the problem of off-policy evaluation (OPE) in reinforcement learning (RL), where the goal is to estimate the performance of an evaluation policy, $\pi_e$, using a fixed dataset, $\mathcal{D}$, collected by one or more policies that may be different from $\pi_e$. Current OPE algorithms may produce poor OPE estimates under policy distribution shift i.e., when the probability of a particular state-action pair occurring under $\pi_e$ is very different from the probability of that same pair occurring in $\mathcal{D}$ (Voloshin et al. 2021, Fu et al. 2021). In this work, we propose to improve the accuracy of OPE estimators by projecting the high-dimensional state-space into a low-dimensional state-space using concepts from the state abstraction literature. Specifically, we consider marginalized importance sampling (MIS) OPE algorithms which compute state-action distribution correction ratios to produce their OPE estimate. In the original ground state-space, these ratios may have high variance which may lead to high variance OPE. However, we prove that in the lower-dimensional abstract state-space the ratios can have lower variance resulting in lower variance OPE. We then highlight the challenges that arise when estimating the abstract ratios from data, identify sufficient conditions to overcome these issues, and present a minimax optimization problem whose solution yields these abstract ratios. Finally, our empirical evaluation on difficult, high-dimensional state-space OPE tasks shows that the abstract ratios can make MIS OPE estimators achieve lower mean-squared error and more robust to hyperparameter tuning than the ground ratios.

This paper introduces the use of evolutionary algorithms for solving differential equations. The solution is obtained by optimizing a deep neural network whose loss function is defined by the residual terms from the differential equations. Recent studies have used stochastic gradient descent (SGD) variants to train these physics-informed neural networks (PINNs), but these methods can struggle to find accurate solutions due to optimization challenges. When solving differential equations, it is important to find the globally optimum parameters of the network, rather than just finding a solution that works well during training. SGD only searches along a single gradient direction, so it may not be the best approach for training PINNs with their accompanying complex optimization landscapes. In contrast, evolutionary algorithms perform a parallel exploration of different solutions in order to avoid getting stuck in local optima and can potentially find more accurate solutions. However, evolutionary algorithms can be slow, which can make them difficult to use in practice. To address this, we provide a set of five benchmark problems with associated performance metrics and baseline results to support the development of evolutionary algorithms for enhanced PINN training. As a baseline, we evaluate the performance and speed of using the widely adopted Covariance Matrix Adaptation Evolution Strategy (CMA-ES) for solving PINNs. We provide the loss and training time for CMA-ES run on TensorFlow, and CMA-ES and SGD run on JAX (with GPU acceleration) for the five benchmark problems. Our results show that JAX-accelerated evolutionary algorithms, particularly CMA-ES, can be a useful approach for solving differential equations. We hope that our work will support the exploration and development of alternative optimization algorithms for the complex task of optimizing PINNs.

Machine learning (ML) has found broad applicability in quantum information science in topics as diverse as experimental design, state classification, and even studies on quantum foundations. Here, we experimentally realize an approach for defining custom prior distributions that are automatically tuned using ML for use with Bayesian quantum state estimation methods. Previously, researchers have looked to Bayesian quantum state tomography due to its unique advantages like natural uncertainty quantification, the return of reliable estimates under any measurement condition, and minimal mean-squared error. However, practical challenges related to long computation times and conceptual issues concerning how to incorporate prior knowledge most suitably can overshadow these benefits. Using both simulated and experimental measurement results, we demonstrate that ML-defined prior distributions reduce net convergence times and provide a natural way to incorporate both implicit and explicit information directly into the prior distribution. These results constitute a promising path toward practical implementations of Bayesian quantum state tomography.

A distribution inference attack aims to infer statistical properties of data used to train machine learning models. These attacks are sometimes surprisingly potent, but the factors that impact distribution inference risk are not well understood and demonstrated attacks often rely on strong and unrealistic assumptions such as full knowledge of training environments even in supposedly black-box threat scenarios. To improve understanding of distribution inference risks, we develop a new black-box attack that even outperforms the best known white-box attack in most settings. Using this new attack, we evaluate distribution inference risk while relaxing a variety of assumptions about the adversary's knowledge under black-box access, like known model architectures and label-only access. Finally, we evaluate the effectiveness of previously proposed defenses and introduce new defenses. We find that although noise-based defenses appear to be ineffective, a simple re-sampling defense can be highly effective. Code is available at https://github.com/iamgroot42/dissecting_distribution_inference

When used in complex engineered systems, such as communication networks, artificial intelligence (AI) models should be not only as accurate as possible, but also well calibrated. A well-calibrated AI model is one that can reliably quantify the uncertainty of its decisions, assigning high confidence levels to decisions that are likely to be correct and low confidence levels to decisions that are likely to be erroneous. This paper investigates the application of conformal prediction as a general framework to obtain AI models that produce decisions with formal calibration guarantees. Conformal prediction transforms probabilistic predictors into set predictors that are guaranteed to contain the correct answer with a probability chosen by the designer. Such formal calibration guarantees hold irrespective of the true, unknown, distribution underlying the generation of the variables of interest, and can be defined in terms of ensemble or time-averaged probabilities. In this paper, conformal prediction is applied for the first time to the design of AI for communication systems in conjunction to both frequentist and Bayesian learning, focusing on demodulation, modulation classification, and channel prediction.

Deep learning models are being increasingly applied to imbalanced data in high stakes fields such as medicine, autonomous driving, and intelligence analysis. Imbalanced data compounds the black-box nature of deep networks because the relationships between classes may be highly skewed and unclear. This can reduce trust by model users and hamper the progress of developers of imbalanced learning algorithms. Existing methods that investigate imbalanced data complexity are geared toward binary classification, shallow learning models and low dimensional data. In addition, current eXplainable Artificial Intelligence (XAI) techniques mainly focus on converting opaque deep learning models into simpler models (e.g., decision trees) or mapping predictions for specific instances to inputs, instead of examining global data properties and complexities. Therefore, there is a need for a framework that is tailored to modern deep networks, that incorporates large, high dimensional, multi-class datasets, and uncovers data complexities commonly found in imbalanced data (e.g., class overlap, sub-concepts, and outlier instances). We propose a set of techniques that can be used by both deep learning model users to identify, visualize and understand class prototypes, sub-concepts and outlier instances; and by imbalanced learning algorithm developers to detect features and class exemplars that are key to model performance. Our framework also identifies instances that reside on the border of class decision boundaries, which can carry highly discriminative information. Unlike many existing XAI techniques which map model decisions to gray-scale pixel locations, we use saliency through back-propagation to identify and aggregate image color bands across entire classes. Our framework is publicly available at \url{https://github.com/dd1github/XAI_for_Imbalanced_Learning}

There has been significant progress in developing neural network architectures that both achieve high predictive performance and that also achieve high application-level inference throughput (e.g., frames per second). Another metric of increasing importance is GPU utilization during inference: the measurement of how well a deployed neural network uses the computational capabilities of the GPU on which it runs. Achieving high GPU utilization is critical to increasing application-level throughput and ensuring a good return on investment for deploying GPUs. This paper analyzes the GPU utilization of convolutional neural network (CNN) inference. We first survey the GPU utilization of CNNs to show that there is room to improve the GPU utilization of many of these CNNs. We then investigate the GPU utilization of networks within a neural architecture search (NAS) search space, and explore how using GPU utilization as a metric could potentially be used to accelerate NAS itself. Our study makes the case that there is room to improve the inference-time GPU utilization of CNNs and that knowledge of GPU utilization has the potential to benefit even applications that do not target utilization itself. We hope that the results of this study will spur future innovation in designing GPU-efficient neural networks.

Vision Transformers convert images to sequences by slicing them into patches. The size of these patches controls a speed/accuracy tradeoff, with smaller patches leading to higher accuracy at greater computational cost, but changing the patch size typically requires retraining the model. In this paper, we demonstrate that simply randomizing the patch size at training time leads to a single set of weights that performs well across a wide range of patch sizes, making it possible to tailor the model to different compute budgets at deployment time. We extensively evaluate the resulting model, which we call FlexiViT, on a wide range of tasks, including classification, image-text retrieval, open-world detection, panoptic segmentation, and semantic segmentation, concluding that it usually matches, and sometimes outperforms, standard ViT models trained at a single patch size in an otherwise identical setup. Hence, FlexiViT training is a simple drop-in improvement for ViT that makes it easy to add compute-adaptive capabilities to most models relying on a ViT backbone architecture. Code and pre-trained models are available at https://github.com/google-research/big_vision

Random forests are some of the most widely used machine learning models today, especially in domains that necessitate interpretability. We present an algorithm that accelerates the training of random forests and other popular tree-based learning methods. At the core of our algorithm is a novel node-splitting subroutine, dubbed MABSplit, used to efficiently find split points when constructing decision trees. Our algorithm borrows techniques from the multi-armed bandit literature to judiciously determine how to allocate samples and computational power across candidate split points. We provide theoretical guarantees that MABSplit improves the sample complexity of each node split from linear to logarithmic in the number of data points. In some settings, MABSplit leads to 100x faster training (an 99% reduction in training time) without any decrease in generalization performance. We demonstrate similar speedups when MABSplit is used across a variety of forest-based variants, such as Extremely Random Forests and Random Patches. We also show our algorithm can be used in both classification and regression tasks. Finally, we show that MABSplit outperforms existing methods in generalization performance and feature importance calculations under a fixed computational budget. All of our experimental results are reproducible via a one-line script at https://github.com/ThrunGroup/FastForest.

Currently, pre-trained models can be considered the default choice for a wide range of NLP tasks. Despite their SoTA results, there is practical evidence that these models may require a different number of computing layers for different input sequences, since evaluating all layers leads to overconfidence in wrong predictions (namely overthinking). This problem can potentially be solved by implementing adaptive computation time approaches, which were first designed to improve inference speed. Recently proposed PonderNet may be a promising solution for performing an early exit by treating the exit layer's index as a latent variable. However, the originally proposed exit criterion, relying on sampling from trained posterior distribution on the probability of exiting from the $i$-th layer, introduces major variance in exit layer indices, significantly reducing the resulting model's performance. In this paper, we propose improving PonderNet with a novel deterministic Q-exit criterion and a revisited model architecture. We adapted the proposed mechanism to ALBERT and RoBERTa and compared it with recent methods for performing an early exit. We observed that the proposed changes can be considered significant improvements on the original PonderNet architecture and outperform PABEE on a wide range of GLUE tasks. In addition, we also performed an in-depth ablation study of the proposed architecture to further understand Lambda layers and their performance.

Optimal transport (OT) has become exceedingly popular in machine learning, data science, and computer vision. The core assumption in the OT problem is the equal total amount of mass in source and target measures, which limits its application. Optimal Partial Transport (OPT) is a recently proposed solution to this limitation. Similar to the OT problem, the computation of OPT relies on solving a linear programming problem (often in high dimensions), which can become computationally prohibitive. In this paper, we propose an efficient algorithm for calculating the OPT problem between two non-negative measures in one dimension. Next, following the idea of sliced OT distances, we utilize slicing to define the sliced OPT distance. Finally, we demonstrate the computational and accuracy benefits of the sliced OPT-based method in various numerical experiments. In particular, we show an application of our proposed Sliced-OPT in noisy point cloud registration.

Identifying the production dates of historical manuscripts is one of the main goals for paleographers when studying ancient documents. Automatized methods can provide paleographers with objective tools to estimate dates more accurately. Previously, statistical features have been used to date digitized historical manuscripts based on the hypothesis that handwriting styles change over periods. However, the sparse availability of such documents poses a challenge in obtaining robust systems. Hence, the research of this article explores the influence of data augmentation on the dating of historical manuscripts. Linear Support Vector Machines were trained with k-fold cross-validation on textural and grapheme-based features extracted from historical manuscripts of different collections, including the Medieval Paleographical Scale, early Aramaic manuscripts, and the Dead Sea Scrolls. Results show that training models with augmented data improve the performance of historical manuscripts dating by 1% - 3% in cumulative scores. Additionally, this indicates further enhancement possibilities by considering models specific to the features and the documents' scripts.

Hydrocarbon prospect risking is a critical application in geophysics predicting well outcomes from a variety of data including geological, geophysical, and other information modalities. Traditional routines require interpreters to go through a long process to arrive at the probability of success of specific outcomes. AI has the capability to automate the process but its adoption has been limited thus far owing to a lack of transparency in the way complicated, black box models generate decisions. We demonstrate how LIME -- a model-agnostic explanation technique -- can be used to inject trust in model decisions by uncovering the model's reasoning process for individual predictions. It generates these explanations by fitting interpretable models in the local neighborhood of specific datapoints being queried. On a dataset of well outcomes and corresponding geophysical attribute data, we show how LIME can induce trust in model's decisions by revealing the decision-making process to be aligned to domain knowledge. Further, it has the potential to debug mispredictions made due to anomalous patterns in the data or faulty training datasets.

Of late, insurance fraud detection has assumed immense significance owing to the huge financial & reputational losses fraud entails and the phenomenal success of the fraud detection techniques. Insurance is majorly divided into two categories: (i) Life and (ii) Non-life. Non-life insurance in turn includes health insurance and auto insurance among other things. In either of the categories, the fraud detection techniques should be designed in such a way that they capture as many fraudulent transactions as possible. Owing to the rarity of fraudulent transactions, in this paper, we propose a chaotic variational autoencoder (C-VAE to perform one-class classification (OCC) on genuine transactions. Here, we employed the logistic chaotic map to generate random noise in the latent space. The effectiveness of C-VAE is demonstrated on the health insurance fraud and auto insurance datasets. We considered vanilla Variational Auto Encoder (VAE) as the baseline. It is observed that C-VAE outperformed VAE in both datasets. C-VAE achieved a classification rate of 77.9% and 87.25% in health and automobile insurance datasets respectively. Further, the t-test conducted at 1% level of significance and 18 degrees of freedom infers that C-VAE is statistically significant than the VAE.

Source-free domain adaptation aims to adapt a source model trained on fully-labeled source domain data to a target domain with unlabeled target domain data. Source data is assumed inaccessible due to proprietary or privacy reasons. Existing works use the source model to pseudolabel target data, but the pseudolabels are unreliable due to data distribution shift between source and target domain. In this work, we propose to leverage an ImageNet pre-trained feature extractor in a new co-learning framework to improve target pseudolabel quality for finetuning the source model. Benefits of the ImageNet feature extractor include that it is not source-biased and it provides an alternate view of features and classification decisions different from the source model. Such pre-trained feature extractors are also publicly available, which allows us to readily leverage modern network architectures that have strong representation learning ability. After co-learning, we sharpen predictions of non-pseudolabeled samples by entropy minimization. Evaluation on 3 benchmark datasets show that our proposed method can outperform existing source-free domain adaptation methods, as well as unsupervised domain adaptation methods which assume joint access to source and target data.

We explore relations between the hyper-parameters of a recurrent neural network (RNN) and the complexity of string sequences it is able to memorize. We compare long short-term memory (LSTM) networks and gated recurrent units (GRUs). We find that an increase of RNN depth does not necessarily result in better memorization capability when the training time is constrained. Our results also indicate that the learning rate and the number of units per layer are among the most important hyper-parameters to be tuned. Generally, GRUs outperform LSTM networks on low complexity sequences while on high complexity sequences LSTMs perform better.

We introduce a linguistically enhanced combination of pre-training methods for transformers. The pre-training objectives include POS-tagging, synset prediction based on semantic knowledge graphs, and parent prediction based on dependency parse trees. Our approach achieves competitive results on the Natural Language Inference task, compared to the state of the art. Specifically for smaller models, the method results in a significant performance boost, emphasizing the fact that intelligent pre-training can make up for fewer parameters and help building more efficient models. Combining POS-tagging and synset prediction yields the overall best results.

Harmonic functions are abundant in nature, appearing in limiting cases of Maxwell's, Navier-Stokes equations, the heat and the wave equation. Consequently, there are many applications of harmonic functions, spanning applications from industrial process optimisation to robotic path planning and the calculation of first exit times of random walks. Despite their ubiquity and relevance, there have been few attempts to develop effective means of representing harmonic functions in the context of machine learning architectures, either in machine learning on classical computers, or in the nascent field of quantum machine learning. Architectures which impose or encourage an inductive bias towards harmonic functions would facilitate data-driven modelling and the solution of inverse problems in a range of applications. For classical neural networks, it has already been established how leveraging inductive biases can in general lead to improved performance of learning algorithms. The introduction of such inductive biases within a quantum machine learning setting is instead still in its nascent stages. In this work, we derive exactly-harmonic (conventional- and quantum-) neural networks in two dimensions for simply-connected domains by leveraging the characteristics of holomorphic complex functions. We then demonstrate how these can be approximately extended to multiply-connected two-dimensional domains using techniques inspired by domain decomposition in physics-informed neural networks. We further provide architectures and training protocols to effectively impose approximately harmonic constraints in three dimensions and higher, and as a corollary we report divergence-free network architectures in arbitrary dimensions. Our approaches are demonstrated with applications to heat transfer, electrostatics and robot navigation, with comparisons to physics-informed neural networks included.

The UK COVID-19 Vocal Audio Dataset is designed for the training and evaluation of machine learning models that classify SARS-CoV-2 infection status or associated respiratory symptoms using vocal audio. The UK Health Security Agency recruited voluntary participants through the national Test and Trace programme and the REACT-1 survey in England from March 2021 to March 2022, during dominant transmission of the Alpha and Delta SARS-CoV-2 variants and some Omicron variant sublineages. Audio recordings of volitional coughs, exhalations, and speech were collected in the 'Speak up to help beat coronavirus' digital survey alongside demographic, self-reported symptom and respiratory condition data, and linked to SARS-CoV-2 test results. The UK COVID-19 Vocal Audio Dataset represents the largest collection of SARS-CoV-2 PCR-referenced audio recordings to date. PCR results were linked to 70,794 of 72,999 participants and 24,155 of 25,776 positive cases. Respiratory symptoms were reported by 45.62% of participants. This dataset has additional potential uses for bioacoustics research, with 11.30% participants reporting asthma, and 27.20% with linked influenza PCR test results.

Structural Health Monitoring (SHM) describes a process for inferring quantifiable metrics of structural condition, which can serve as input to support decisions on the operation and maintenance of infrastructure assets. Given the long lifespan of critical structures, this problem can be cast as a sequential decision making problem over prescribed horizons. Partially Observable Markov Decision Processes (POMDPs) offer a formal framework to solve the underlying optimal planning task. However, two issues can undermine the POMDP solutions. Firstly, the need for a model that can adequately describe the evolution of the structural condition under deterioration or corrective actions and, secondly, the non-trivial task of recovery of the observation process parameters from available monitoring data. Despite these potential challenges, the adopted POMDP models do not typically account for uncertainty on model parameters, leading to solutions which can be unrealistically confident. In this work, we address both key issues. We present a framework to estimate POMDP transition and observation model parameters directly from available data, via Markov Chain Monte Carlo (MCMC) sampling of a Hidden Markov Model (HMM) conditioned on actions. The MCMC inference estimates distributions of the involved model parameters. We then form and solve the POMDP problem by exploiting the inferred distributions, to derive solutions that are robust to model uncertainty. We successfully apply our approach on maintenance planning for railway track assets on the basis of a "fractal value" indicator, which is computed from actual railway monitoring data.  ( 2 min )

Compressing neural network architectures is important to allow the deployment of models to embedded or mobile devices, and pruning and quantization are the major approaches to compress neural networks nowadays. Both methods benefit when compression parameters are selected specifically for each layer. Finding good combinations of compression parameters, so-called compression policies, is hard as the problem spans an exponentially large search space. Effective compression policies consider the influence of the specific hardware architecture on the used compression methods. We propose an algorithmic framework called Galen to search such policies using reinforcement learning utilizing pruning and quantization, thus providing automatic compression for neural networks. Contrary to other approaches we use inference latency measured on the target hardware device as an optimization goal. With that, the framework supports the compression of models specific to a given hardware target. We validate our approach using three different reinforcement learning agents for pruning, quantization and joint pruning and quantization. Besides proving the functionality of our approach we were able to compress a ResNet18 for CIFAR-10, on an embedded ARM processor, to 20% of the original inference latency without significant loss of accuracy. Moreover, we can demonstrate that a joint search and compression using pruning and quantization is superior to an individual search for policies using a single compression method.  ( 2 min )

In the last few years, various types of machine learning algorithms, such as Support Vector Machine (SVM), Support Vector Regression (SVR), and Non-negative Matrix Factorization (NMF) have been introduced. The kernel approach is an effective method for increasing the classification accuracy of machine learning algorithms. This paper introduces a family of one-parameter kernel functions for improving the accuracy of SVM classification. The proposed kernel function consists of a trigonometric term and differs from all existing kernel functions. We show this function is a positive definite kernel function. Finally, we evaluate the SVM method based on the new trigonometric kernel, the Gaussian kernel, the polynomial kernel, and a convex combination of the new kernel function and the Gaussian kernel function on various types of datasets. Empirical results show that the SVM based on the new trigonometric kernel function and the mixed kernel function achieve the best classification accuracy. Moreover, some numerical results of performing the SVR based on the new trigonometric kernel function and the mixed kernel function are presented.  ( 2 min )

With the success of Vision Transformers (ViTs) in computer vision tasks, recent arts try to optimize the performance and complexity of ViTs to enable efficient deployment on mobile devices. Multiple approaches are proposed to accelerate attention mechanism, improve inefficient designs, or incorporate mobile-friendly lightweight convolutions to form hybrid architectures. However, ViT and its variants still have higher latency or considerably more parameters than lightweight CNNs, even true for the years-old MobileNet. In practice, latency and size are both crucial for efficient deployment on resource-constraint hardware. In this work, we investigate a central question, can transformer models run as fast as MobileNet and maintain a similar size? We revisit the design choices of ViTs and propose an improved supernet with low latency and high parameter efficiency. We further introduce a fine-grained joint search strategy that can find efficient architectures by optimizing latency and number of parameters simultaneously. The proposed models, EfficientFormerV2, achieve about $4\%$ higher top-1 accuracy than MobileNetV2 and MobileNetV2$\times1.4$ on ImageNet-1K with similar latency and parameters. We demonstrate that properly designed and optimized vision transformers can achieve high performance with MobileNet-level size and speed.  ( 2 min )

Time-of-flight (ToF) distance measurement devices such as ultrasonics, LiDAR and radar are widely used in autonomous vehicles for environmental perception, navigation and assisted braking control. Despite their relative importance in making safer driving decisions, these devices are vulnerable to multiple attack types including spoofing, triggering and false data injection. When these attacks are successful they can compromise the security of autonomous vehicles leading to severe consequences for the driver, nearby vehicles and pedestrians. To handle these attacks and protect the measurement devices, we propose a spatial-temporal anomaly detection model \textit{STAnDS} which incorporates a residual error spatial detector, with a time-based expected change detection. This approach is evaluated using a simulated quantitative environment and the results show that \textit{STAnDS} is effective at detecting multiple attack types.  ( 2 min )

Universal Approximation Theorems establish the density of various classes of neural network function approximators in $C(K, \mathbb{R}^m)$, where $K \subset \mathbb{R}^n$ is compact. In this paper, we aim to extend these guarantees by establishing conditions on learning tasks that guarantee their continuity. We consider learning tasks given by conditional expectations $x \mapsto \mathrm{E}\left[Y \mid X = x\right]$, where the learning target $Y = f \circ L$ is a potentially pathological transformation of some underlying data-generating process $L$. Under a factorization $L = T \circ W$ for the data-generating process where $T$ is thought of as a deterministic map acting on some random input $W$, we establish conditions (that might be easily verified using knowledge of $T$ alone) that guarantee the continuity of practically \textit{any} derived learning task $x \mapsto \mathrm{E}\left[f \circ L \mid X = x\right]$. We motivate the realism of our conditions using the example of randomized stable matching, thus providing a theoretical justification for the continuity of real-world learning tasks.  ( 2 min )

Maximum Inner Product Search (MIPS) is a popular problem in the machine learning literature due to its applicability in a wide array of applications, such as recommender systems. In high-dimensional settings, however, MIPS queries can become computationally expensive as most existing solutions do not scale well with data dimensionality. In this work, we present a state-of-the-art algorithm for the MIPS problem in high dimensions, dubbed BanditMIPS. BanditMIPS is a randomized algorithm that borrows techniques from multi-armed bandits to reduce the MIPS problem to a best-arm identification problem. BanditMIPS reduces the complexity of state-of-the-art algorithms from $O(\sqrt{d})$ to $O(\text{log}d)$, where $d$ is the dimension of the problem data vectors. On high-dimensional real-world datasets, BanditMIPS runs approximately 12 times faster than existing approaches and returns the same solution. BanditMIPS requires no preprocessing of the data and includes a hyperparameter that practitioners may use to trade off accuracy and runtime. We also propose a variant of our algorithm, named BanditMIPS-$\alpha$, which employs non-uniform sampling across the data dimensions to provide further speedups.  ( 2 min )

As modern data pipelines continue to collect, produce, and store a variety of data formats, extracting and combining value from traditional and context-rich sources such as strings, text, video, audio, and logs becomes a manual process where such formats are unsuitable for RDBMS. To tap into the dark data, domain experts analyze and extract insights and integrate them into the data repositories. This process can involve out-of-DBMS, ad-hoc analysis, and processing resulting in ETL, engineering effort, and suboptimal performance. While AI systems based on ML models can automate the analysis process, they often further generate context-rich answers. Using multiple sources of truth, for either training the models or in the form of knowledge bases, further exacerbates the problem of consolidating the data of interest. We envision an analytical engine co-optimized with components that enable context-rich analysis. Firstly, as the data from different sources or resulting from model answering cannot be cleaned ahead of time, we propose using online data integration via model-assisted similarity operations. Secondly, we aim for a holistic pipeline cost- and rule-based optimization across relational and model-based operators. Thirdly, with increasingly heterogeneous hardware and equally heterogeneous workloads ranging from traditional relational analytics to generative model inference, we envision a system that just-in-time adapts to the complex analytical query requirements. To solve increasingly complex analytical problems, ML offers attractive solutions that must be combined with traditional analytical processing and benefit from decades of database community research to achieve scalability and performance effortless for the end user.  ( 2 min )

The Graph Protocol indexes historical blockchain transaction data and makes it available for querying. As the protocol is decentralized, there are many independent Indexers that index and compete with each other for serving queries to the Consumers. One dimension along which Indexers compete is pricing. In this paper, we propose a bandit-based algorithm for maximization of Indexers' revenue via Consumer budget discovery. We present the design and the considerations we had to make for a dynamic pricing algorithm being used by multiple agents simultaneously. We discuss the results achieved by our dynamic pricing bandits both in simulation and deployed into production on one of the Indexers operating on Ethereum. We have open-sourced both the simulation framework and tools we created, which other Indexers have since started to adapt into their own workflows.  ( 2 min )

Deep learning can extract rich data representations if provided sufficient quantities of labeled training data. For many tasks however, annotating data has significant costs in terms of time and money, owing to the high standards of subject matter expertise required, for example in medical and geophysical image interpretation tasks. Active Learning can identify the most informative training examples for the interpreter to train, leading to higher efficiency. We propose an Active learning method based on jointly learning representations for supervised and unsupervised tasks. The learned manifold structure is later utilized to identify informative training samples most dissimilar from the learned manifold from the error profiles on the unsupervised task. We verify the efficiency of the proposed method on a seismic facies segmentation dataset from the Netherlands F3 block survey, significantly outperforming contemporary methods to achieve the highest mean Intersection-Over-Union value of 0.773.  ( 2 min )

With the advent of deep learning, a huge number of text-to-speech (TTS) models which produce human-like speech have emerged. Recently, by introducing syntactic and semantic information w.r.t the input text, various approaches have been proposed to enrich the naturalness and expressiveness of TTS models. Although these strategies showed impressive results, they still have some limitations in utilizing language information. First, most approaches only use graph networks to utilize syntactic and semantic information without considering linguistic features. Second, most previous works do not explicitly consider adjacent words when encoding syntactic and semantic information, even though it is obvious that adjacent words are usually meaningful when encoding the current word. To address these issues, we propose Relation-aware Word Encoding Network (RWEN), which effectively allows syntactic and semantic information based on two modules (i.e., Semantic-level Relation Encoding and Adjacent Word Relation Encoding). Experimental results show substantial improvements compared to previous works.  ( 2 min )

In molecular research, simulation \& design of molecules are key areas with significant implications for drug development, material science, and other fields. Current classical computational power falls inadequate to simulate any more than small molecules, let alone protein chains on hundreds of peptide. Therefore these experiment are done physically in wet-lab, but it takes a lot of time \& not possible to examine every molecule due to the size of the search area, tens of billions of dollars are spent every year in these research experiments. Molecule simulation \& design has lately advanced significantly by machine learning models, A fresh perspective on the issue of chemical synthesis is provided by deep generative models for graph-structured data. By optimising differentiable models that produce molecular graphs directly, it is feasible to avoid costly search techniques in the discrete and huge space of chemical structures. But these models also suffer from computational limitations when dimensions become huge and consume huge amount of resources. Quantum Generative machine learning in recent years have shown some empirical results promising significant advantages over classical counterparts.  ( 2 min )

In this paper, we consider the inventory management (IM) problem where we need to make replenishment decisions for a large number of stock keeping units (SKUs) to balance their supply and demand. In our setting, the constraint on the shared resources (such as the inventory capacity) couples the otherwise independent control for each SKU. We formulate the problem with this structure as Shared-Resource Stochastic Game (SRSG)and propose an efficient algorithm called Context-aware Decentralized PPO (CD-PPO). Through extensive experiments, we demonstrate that CD-PPO can accelerate the learning procedure compared with standard MARL algorithms.  ( 2 min )

Database research can help machine learning performance in many ways. One way is to design better data structures. This paper combines the use of incremental computation and sequential and probabilistic filtering to enable "forgetful" tree-based learning algorithms to cope with concept drift data (i.e., data whose function from input to classification changes over time). The forgetful algorithms described in this paper achieve high time performance while maintaining high quality predictions on streaming data. Specifically, the algorithms are up to 24 times faster than state-of-the-art incremental algorithms with at most a 2% loss of accuracy, or at least twice faster without any loss of accuracy. This makes such structures suitable for high volume streaming applications.  ( 2 min )

Evaluating and comparing text-to-image models is a challenging problem. Significant advances in the field have recently been made, piquing interest of various industrial sectors. As a consequence, a gold standard in the field should cover a variety of tasks and application contexts. In this paper a novel evaluation approach is experimented, on the basis of: (i) a curated data set, made by high-quality royalty-free image-text pairs, divided into ten categories; (ii) a quantitative metric, the CLIP-score, (iii) a human evaluation task to distinguish, for a given text, the real and the generated images. The proposed method has been applied to the most recent models, i.e., DALLE2, Latent Diffusion, Stable Diffusion, GLIDE and Craiyon. Early experimental results show that the accuracy of the human judgement is fully coherent with the CLIP-score. The dataset has been made available to the public.  ( 2 min )

Reflection high-energy electron diffraction (RHEED) is a powerful tool in molecular beam epitaxy (MBE), but RHEED images are often difficult to interpret, requiring experienced operators. We present an approach for automated surveillance of GaAs substrate deoxidation in MBE reactors using deep learning based RHEED image-sequence classification. Our approach consists of an non-supervised auto-encoder (AE) for feature extraction, combined with a supervised convolutional classifier network. We demonstrate that our lightweight network model can accurately identify the exact deoxidation moment. Furthermore we show that the approach is very robust and allows accurate deoxidation detection during months without requiring re-training. The main advantage of the approach is that it can be applied to raw RHEED images without requiring further information such as the rotation angle, temperature, etc.  ( 2 min )

The promise of Mobile Health (mHealth) is the ability to use wearable sensors to monitor participant physiology at high frequencies during daily life to enable temporally-precise health interventions. However, a major challenge is frequent missing data. Despite a rich imputation literature, existing techniques are ineffective for the pulsative signals which comprise many mHealth applications, and a lack of available datasets has stymied progress. We address this gap with PulseImpute, the first large-scale pulsative signal imputation challenge which includes realistic mHealth missingness models, an extensive set of baselines, and clinically-relevant downstream tasks. Our baseline models include a novel transformer-based architecture designed to exploit the structure of pulsative signals. We hope that PulseImpute will enable the ML community to tackle this significant and challenging task.  ( 2 min )

Motivated by mitigating potentially harmful impacts of technologies, the AI community has formulated and accepted mathematical definitions for certain pillars of accountability: e.g. privacy, fairness, and model transparency. Yet, we argue this is fundamentally misguided because these definitions are imperfect, siloed constructions of the human values they hope to proxy, while giving the guise that those values are sufficiently embedded in our technologies. Under popularized methods, tensions arise when practitioners attempt to achieve each pillar of fairness, privacy, and transparency in isolation or simultaneously. In this position paper, we push for redirection. We argue that the AI community needs to consider all the consequences of choosing certain formulations of these pillars -- not just the technical incompatibilities, but also the effects within the context of deployment. We point towards sociotechnical research for frameworks for the latter, but push for broader efforts into implementing these in practice.  ( 2 min )

Optimization in multi-task learning (MTL) is more challenging than single-task learning (STL), as the gradient from different tasks can be contradictory. When tasks are related, it can be beneficial to share some parameters among them (cooperation). However, some tasks require additional parameters with expertise in a specific type of data or discrimination (specialization). To address the MTL challenge, we propose Mod-Squad, a new model that is Modularized into groups of experts (a 'Squad'). This structure allows us to formalize cooperation and specialization as the process of matching experts and tasks. We optimize this matching process during the training of a single model. Specifically, we incorporate mixture of experts (MoE) layers into a transformer model, with a new loss that incorporates the mutual dependence between tasks and experts. As a result, only a small set of experts are activated for each task. This prevents the sharing of the entire backbone model between all tasks, which strengthens the model, especially when the training set size and the number of tasks scale up. More interestingly, for each task, we can extract the small set of experts as a standalone model that maintains the same performance as the large model. Extensive experiments on the Taskonomy dataset with 13 vision tasks and the PASCAL-Context dataset with 5 vision tasks show the superiority of our approach.  ( 2 min )

The challenges of collecting medical data on neurological disorder diagnosis problems paved the way for learning methods with scarce number of samples. Due to this reason, one-shot learning still remains one of the most challenging and trending concepts of deep learning as it proposes to simulate the human-like learning approach in classification problems. Previous studies have focused on generating more accurate fingerprints of the population using graph neural networks (GNNs) with connectomic brain graph data. Thereby, generated population fingerprints named connectional brain template (CBTs) enabled detecting discriminative bio-markers of the population on classification tasks. However, the reverse problem of data augmentation from single graph data representing brain connectivity has never been tackled before. In this paper, we propose an augmentation pipeline in order to provide improved metrics on our binary classification problem. Divergently from the previous studies, we examine augmentation from a single population template by utilizing graph-based generative adversarial network (gGAN) architecture for a classification problem. We benchmarked our proposed solution on AD/LMCI dataset consisting of brain connectomes with Alzheimer's Disease (AD) and Late Mild Cognitive Impairment (LMCI). In order to evaluate our model's generalizability, we used cross-validation strategy and randomly sampled the folds multiple times. Our results on classification not only provided better accuracy when augmented data generated from one sample is introduced, but yields more balanced results on other metrics as well.

Neural network (NN) potentials promise highly accurate molecular dynamics (MD) simulations within the computational complexity of classical MD force fields. However, when applied outside their training domain, NN potential predictions can be inaccurate, increasing the need for Uncertainty Quantification (UQ). Bayesian modeling provides the mathematical framework for UQ, but classical Bayesian methods based on Markov chain Monte Carlo (MCMC) are computationally intractable for NN potentials. By training graph NN potentials for coarse-grained systems of liquid water and alanine dipeptide, we demonstrate here that scalable Bayesian UQ via stochastic gradient MCMC (SG-MCMC) yields reliable uncertainty estimates for MD observables. We show that cold posteriors can reduce the required training data size and that for reliable UQ, multiple Markov chains are needed. Additionally, we find that SG-MCMC and the Deep Ensemble method achieve comparable results, despite shorter training and less hyperparameter tuning of the latter. We show that both methods can capture aleatoric and epistemic uncertainty reliably, but not systematic uncertainty, which needs to be minimized by adequate modeling to obtain accurate credible intervals for MD observables. Our results represent a step towards accurate UQ that is of vital importance for trustworthy NN potential-based MD simulations required for decision-making in practice.  ( 2 min )

In natural phenomena, data distributions often deviate from normality. One can think of cataclysms as a self-explanatory example: events that occur almost never, and at the same time are many standard deviations away from the common outcome. In many scientific contexts it is exactly these tail events that researchers are most interested in anticipating, so that adequate measures can be taken to prevent or attenuate a major impact on society. Despite such efforts, we have yet to provide definite answers to crucial issues in evaluating predictive solutions in domains such as weather, pollution, health. In this paper, we deal with two encapsulated problems simultaneously. First, assessing the performance of regression models when non-uniform preferences apply - not all values are equally relevant concerning the accuracy of their prediction, and there's a particular interest in the most extreme values. Second, assessing the robustness of models when dealing with uncertainty regarding the actual underlying distribution of values relevant for such problems. We show how different levels of relevance associated with target values may impact experimental conclusions, and demonstrate the practical utility of the proposed methods.  ( 2 min )

Generative Adversarial Networks (GAN) training process, in most cases, apply Uniform or Gaussian sampling methods in the latent space, which probably spends most of the computation on examples that can be properly handled and easy to generate. Theoretically, importance sampling speeds up stochastic optimization in supervised learning by prioritizing training examples. In this paper, we explore the possibility of adapting importance sampling into adversarial learning. We use importance sampling to replace Uniform and Gaussian sampling methods in the latent space and employ normalizing flow to approximate latent space posterior distribution by density estimation. Empirically, results on MNIST and Fashion-MNIST demonstrate that our method significantly accelerates GAN's optimization while retaining visual fidelity in generated samples.  ( 2 min )

In this technical report, we present our solutions to the Traffic4cast 2022 core challenge and extended challenge. In this competition, the participants are required to predict the traffic states for the future 15-minute based on the vehicle counter data in the previous hour. Compared to other competitions in the same series, this year focuses on the prediction of different data sources and sparse vertex-to-edge generalization. To address these issues, we introduce the Transposed Variational Auto-encoder (TVAE) model to reconstruct the missing data and Graph Attention Networks (GAT) to strengthen the correlations between learned representations. We further apply feature selection to learn traffic patterns from diverse but easily available data. Our solutions have ranked first in both challenges on the final leaderboard. The source code is available at \url{https://github.com/Daftstone/Traffic4cast}  ( 2 min )

State-of-the-art language models are often accurate on many question-answering benchmarks with well-defined questions. Yet, in real settings questions are often unanswerable without asking the user for clarifying information. We show that current SotA models often do not ask the user for clarification when presented with imprecise questions and instead provide incorrect answers or "hallucinate". To address this, we introduce CLAM, a framework that first uses the model to detect ambiguous questions, and if an ambiguous question is detected, prompts the model to ask the user for clarification. Furthermore, we show how to construct a scalable and cost-effective automatic evaluation protocol using an oracle language model with privileged information to provide clarifying information. We show that our method achieves a 20.15 percentage point accuracy improvement over SotA on a novel ambiguous question-answering answering data set derived from TriviaQA.  ( 2 min )

The recent work by (Rieger et al 2021) is concerned with the problem of extracting features from spatio-temporal geophysical signals. The authors introduce the complex rotated MCA (xMCA) to deal with lagged effects and non-orthogonality of the feature representation. This method essentially (1) transforms the signals to a complex plane with the Hilbert transform; (2) applies an oblique (Varimax and Promax) rotation to remove the orthogonality constraint; and (3) performs the eigendecomposition in this complex space (Horel et al, 1984). We argue that this method is essentially a particular case of the method called rotated complex kernel principal component analysis (ROCK-PCA) introduced in (Bueso et al., 2019, 2020), where we proposed the same approach: first transform the data to the complex plane with the Hilbert transform and then apply the varimax rotation, with the only difference that the eigendecomposition is performed in the dual (kernel) Hilbert space. The latter allows us to generalize the xMCA solution by extracting nonlinear (curvilinear) features when nonlinear kernel functions are used. Hence, the solution of xMCA boils down to ROCK-PCA when the inner product is computed in the input data space instead of in the high-dimensional (possibly infinite) kernel Hilbert space to which data has been mapped. In this short correspondence we show theoretical proof that xMCA is a special case of ROCK-PCA and provide quantitative evidence that more expressive and informative features can be extracted when working with kernels; results of the decomposition of global sea surface temperature (SST) fields are shown to illustrate the capabilities of ROCK-PCA to cope with nonlinear processes, unlike xMCA.  ( 2 min )

Generating multivariate time series is a promising approach for sharing sensitive data in many medical, financial, and IoT applications. A common type of multivariate time series originates from a single source such as the biometric measurements from a medical patient. This leads to complex dynamical patterns between individual time series that are hard to learn by typical generation models such as GANs. There is valuable information in those patterns that machine learning models can use to better classify, predict or perform other downstream tasks. We propose a novel framework that takes time series' common origin into account and favors channel/feature relationships preservation. The two key points of our method are: 1) the individual time series are generated from a common point in latent space and 2) a central discriminator favors the preservation of inter-channel/feature dynamics. We demonstrate empirically that our method helps preserve channel/feature correlations and that our synthetic data performs very well in downstream tasks with medical and financial data.  ( 2 min )

The policy gradient method enjoys the simplicity of the objective where the agent optimizes the cumulative reward directly. Moreover, in the continuous action domain, parameterized distribution of action distribution allows easy control of exploration, resulting from the variance of the representing distribution. Entropy can play an essential role in policy optimization by selecting the stochastic policy, which eventually helps better explore the environment in reinforcement learning (RL). However, the stochasticity often reduces as the training progresses; thus, the policy becomes less exploratory. Additionally, certain parametric distributions might only work for some environments and require extensive hyperparameter tuning. This paper aims to mitigate these issues. In particular, we propose an algorithm called Robust Policy Optimization (RPO), which leverages a perturbed distribution. We hypothesize that our method encourages high-entropy actions and provides a way to represent the action space better. We further provide empirical evidence to verify our hypothesis. We evaluated our methods on various continuous control tasks from DeepMind Control, OpenAI Gym, Pybullet, and IsaacGym. We observed that in many settings, RPO increases the policy entropy early in training and then maintains a certain level of entropy throughout the training period. Eventually, our agent RPO shows consistently improved performance compared to PPO and other techniques: entropy regularization, different distributions, and data augmentation. Furthermore, in several settings, our method stays robust in performance, while other baseline mechanisms fail to improve and even worsen the performance.  ( 2 min )

We tackle the problem of computing counterfactual explanations -- minimal changes to the features that flip an undesirable model prediction. We propose a solution to this question for linear Support Vector Machine (SVMs) models. Moreover, we introduce a way to account for weighted actions that allow for more changes in certain features than others. In particular, we show how to find counterfactual explanations with the purpose of increasing model interpretability. These explanations are valid, change only actionable features, are close to the data distribution, sparse, and take into account correlations between features. We cast this as a mixed integer programming optimization problem. Additionally, we introduce two novel scale-invariant cost functions for assessing the quality of counterfactual explanations and use them to evaluate the quality of our approach with a real medical dataset. Finally, we build a support vector machine model to predict whether law students will pass the Bar exam using protected features, and used our algorithms to uncover the inherent biases of the SVM.  ( 2 min )

Unpaired image translation algorithms can be used for sim2real tasks, but many fail to generate temporally consistent results. We present a new approach that combines differentiable rendering with image translation to achieve temporal consistency over indefinite timescales, using surface consistency losses and \emph{neural neural textures}. We call this algorithm TRITON (Texture Recovering Image Translation Network): an unsupervised, end-to-end, stateless sim2real algorithm that leverages the underlying 3D geometry of input scenes by generating realistic-looking learnable neural textures. By settling on a particular texture for the objects in a scene, we ensure consistency between frames statelessly. Unlike previous algorithms, TRITON is not limited to camera movements -- it can handle the movement of objects as well, making it useful for downstream tasks such as robotic manipulation.  ( 2 min )

Methods of pattern recognition and machine learning are applied extensively in science, technology, and society. Hence, any advances in related theory may translate into large-scale impact. Here we explore how algorithmic information theory, especially algorithmic probability, may aid in a machine learning task. We study a multiclass supervised classification problem, namely learning the RNA molecule sequence-to-shape map, where the different possible shapes are taken to be the classes. The primary motivation for this work is a proof of concept example, where a concrete, well-motivated machine learning task can be aided by approximations to algorithmic probability. Our approach is based on directly estimating the class (i.e., shape) probabilities from shape complexities, and using the estimated probabilities as a prior in a Gaussian process learning problem. Naturally, with a large amount of training data, the prior has no significant influence on classification accuracy, but in the very small training data regime, we show that using the prior can substantially improve classification accuracy. To our knowledge, this work is one of the first to demonstrate how algorithmic probability can aid in a concrete, real-world, machine learning problem.  ( 2 min )

Iterative detection and decoding (IDD) is known to achieve near-capacity performance in multi-antenna wireless systems. We propose deep-unfolded interleaved detection and decoding (DUIDD), a new paradigm that reduces the complexity of IDD while achieving even lower error rates. DUIDD interleaves the inner stages of the data detector and channel decoder, which expedites convergence and reduces complexity. Furthermore, DUIDD applies deep unfolding to automatically optimize algorithmic hyperparameters, soft-information exchange, message damping, and state forwarding. We demonstrate the efficacy of DUIDD using NVIDIA's Sionna link-level simulator in a 5G-near multi-user MIMO-OFDM wireless system with a novel low-complexity soft-input soft-output data detector, an optimized low-density parity-check decoder, and channel vectors from a commercial ray-tracer. Our results show that DUIDD outperforms classical IDD both in terms of block error rate and computational complexity.  ( 2 min )

Gaussian process state-space model (GPSSM) is a fully probabilistic state-space model that has attracted much attention over the past decade. However, the outputs of the transition function in the existing GPSSMs are assumed to be independent, meaning that the GPSSMs cannot exploit the inductive biases between different outputs and lose certain model capacities. To address this issue, this paper proposes an output-dependent and more realistic GPSSM by utilizing the well-known, simple yet practical linear model of coregionalization (LMC) framework to represent the output dependency. To jointly learn the output-dependent GPSSM and infer the latent states, we propose a variational sparse GP-based learning method that only gently increases the computational complexity. Experiments on both synthetic and real datasets demonstrate the superiority of the output-dependent GPSSM in terms of learning and inference performance.  ( 2 min )

We study a multi-factor block model for variable clustering and connect it to the regularized subspace clustering by formulating a distributionally robust version of the nodewise regression. To solve the latter problem, we derive a convex relaxation, provide guidance on selecting the size of the robust region, and hence the regularization weighting parameter, based on the data, and propose an ADMM algorithm for implementation. We validate our method in an extensive simulation study. Finally, we propose and apply a variant of our method to stock return data, obtain interpretable clusters that facilitate portfolio selection and compare its out-of-sample performance with other clustering methods in an empirical study.  ( 2 min )

We propose a deep learning method for three-dimensional reconstruction in low-dose helical cone-beam computed tomography. We reconstruct the volume directly, i.e., not from 2D slices, guaranteeing consistency along all axes. In a crucial step beyond prior work, we train our model in a self-supervised manner in the projection domain using noisy 2D projection data, without relying on 3D reference data or the output of a reference reconstruction method. This means the fidelity of our results is not limited by the quality and availability of such data. We evaluate our method on real helical cone-beam projections and simulated phantoms. Our reconstructions are sharper and less noisy than those of previous methods, and several decibels better in quantitative PSNR measurements. When applied to full-dose data, our method produces high-quality results orders of magnitude faster than iterative techniques.  ( 2 min )

Transformers have made remarkable progress towards modeling long-range dependencies within the medical image analysis domain. However, current transformer-based models suffer from several disadvantages: (1) existing methods fail to capture the important features of the images due to the naive tokenization scheme; (2) the models suffer from information loss because they only consider single-scale feature representations; and (3) the segmentation label maps generated by the models are not accurate enough without considering rich semantic contexts and anatomical textures. In this work, we present CASTformer, a novel type of adversarial transformers, for 2D medical image segmentation. First, we take advantage of the pyramid structure to construct multi-scale representations and handle multi-scale variations. We then design a novel class-aware transformer module to better learn the discriminative regions of objects with semantic structures. Lastly, we utilize an adversarial training strategy that boosts segmentation accuracy and correspondingly allows a transformer-based discriminator to capture high-level semantically correlated contents and low-level anatomical features. Our experiments demonstrate that CASTformer dramatically outperforms previous state-of-the-art transformer-based approaches on three benchmarks, obtaining 2.54%-5.88% absolute improvements in Dice over previous models. Further qualitative experiments provide a more detailed picture of the model's inner workings, shed light on the challenges in improved transparency, and demonstrate that transfer learning can greatly improve performance and reduce the size of medical image datasets in training, making CASTformer a strong starting point for downstream medical image analysis tasks.  ( 3 min )

The costs and impacts of government corruption range from impairing a country's economic growth to affecting its citizens' well-being and safety. Public contracting between government dependencies and private sector instances, referred to as public procurement, is a fertile land of opportunity for corrupt practices, generating substantial monetary losses worldwide. Thus, identifying and deterring corrupt activities between the government and the private sector is paramount. However, due to several factors, corruption in public procurement is challenging to identify and track, leading to corrupt practices going unnoticed. This paper proposes a machine learning model based on an ensemble of random forest classifiers, which we call hyper-forest, to identify and predict corrupt contracts in M\'exico's public procurement data. This method's results correctly detect most of the corrupt and non-corrupt contracts evaluated in the dataset. Furthermore, we found that the most critical predictors considered in the model are those related to the relationship between buyers and suppliers rather than those related to features of individual contracts. Also, the method proposed here is general enough to be trained with data from other countries. Overall, our work presents a tool that can help in the decision-making process to identify, predict and analyze corruption in public procurement contracts.  ( 2 min )

Runtime monitoring provides a more realistic and applicable alternative to verification in the setting of real neural networks used in industry. It is particularly useful for detecting out-of-distribution (OOD) inputs, for which the network was not trained and can yield erroneous results. We extend a runtime-monitoring approach previously proposed for classification networks to perception systems capable of identification and localization of multiple objects. Furthermore, we analyze its adequacy experimentally on different kinds of OOD settings, documenting the overall efficacy of our approach.  ( 2 min )

Symmetry arises in many optimization and decision-making problems, and has attracted considerable attention from the optimization community: By utilizing the existence of such symmetries, the process of searching for optimal solutions can be improved significantly. Despite its success in (offline) optimization, the utilization of symmetries has not been well examined within the online optimization settings, especially in the bandit literature. As such, in this paper we study the invariant Lipschitz bandit setting, a subclass of the Lipschitz bandits where the reward function and the set of arms are preserved under a group of transformations. We introduce an algorithm named \texttt{UniformMesh-N}, which naturally integrates side observations using group orbits into the \texttt{UniformMesh} algorithm (\cite{Kleinberg2005_UniformMesh}), which uniformly discretizes the set of arms. Using the side-observation approach, we prove an improved regret upper bound, which depends on the cardinality of the group, given that the group is finite. We also prove a matching regret's lower bound for the invariant Lipschitz bandit class (up to logarithmic factors). We hope that our work will ignite further investigation of symmetry in bandit theory and sequential decision-making theory in general.  ( 2 min )

The correct functioning of photovoltaic (PV) cells is critical to ensuring the optimal performance of a solar plant. Anomaly detection techniques for PV cells can result in significant cost savings in operation and maintenance (O&M). Recent research has focused on deep learning techniques for automatically detecting anomalies in Electroluminescence (EL) images. Automated anomaly annotations can improve current O&M methodologies and help develop decision-making systems to extend the life-cycle of the PV cells and predict failures. This paper addresses the lack of anomaly segmentation annotations in the literature by proposing a combination of state-of-the-art data-driven techniques to create a Golden Standard benchmark. The proposed method stands out for (1) its adaptability to new PV cell types, (2) cost-efficient fine-tuning, and (3) leverage public datasets to generate advanced annotations. The methodology has been validated in the annotation of a widely used dataset, obtaining a reduction of the annotation cost by 60%.  ( 2 min )

Recent developments of advanced driver-assistance systems necessitate an increasing number of tests to validate new technologies. These tests cannot be carried out on track in a reasonable amount of time and automotive groups rely on simulators to perform most tests. The reliability of these simulators for constantly refined tasks is becoming an issue and, to increase the number of tests, the industry is now developing surrogate models, that should mimic the behavior of the simulator while being much faster to run on specific tasks. In this paper we aim to construct a surrogate model to mimic and replace the simulator. We first test several classical methods such as random forests, ridge regression or convolutional neural networks. Then we build three hybrid models that use all these methods and combine them to obtain an efficient hybrid surrogate model.

Stellar photospheric activity is known to limit the detection and characterisation of extra-solar planets. In particular, the study of Earth-like planets around Sun-like stars requires data analysis methods that can accurately model the stellar activity phenomena affecting radial velocity (RV) measurements. Gaussian Process Regression Networks (GPRNs) offer a principled approach to the analysis of simultaneous time-series, combining the structural properties of Bayesian neural networks with the non-parametric flexibility of Gaussian Processes. Using HARPS-N solar spectroscopic observations encompassing three years, we demonstrate that this framework is capable of jointly modelling RV data and traditional stellar activity indicators. Although we consider only the simplest GPRN configuration, we are able to describe the behaviour of solar RV data at least as accurately as previously published methods. We confirm the correlation between the RV and stellar activity time series reaches a maximum at separations of a few days, and find evidence of non-stationary behaviour in the time series, associated with an approaching solar activity minimum.

The application of reinforcement learning in credit scoring has created a unique setting for contextual logistic bandit that does not conform to the usual exploration-exploitation tradeoff but rather favors exploration-free algorithms. Through sufficient randomness in a pool of observable contexts, the reinforcement learning agent can simultaneously exploit an action with the highest reward while still learning more about the structure governing that environment. Thus, it is the case that greedy algorithms consistently outperform algorithms with efficient exploration, such as Thompson sampling. However, in a more pragmatic scenario in credit scoring, lenders can, to a degree, classify each borrower as a separate group, and learning about the characteristics of each group does not infer any information to another group. Through extensive simulations, we show that Thompson sampling dominates over greedy algorithms given enough timesteps which increase with the complexity of underlying features.

Universal Approximation Theorems establish the density of various classes of neural network function approximators in $C(K, \mathbb{R}^m)$, where $K \subset \mathbb{R}^n$ is compact. In this paper, we aim to extend these guarantees by establishing conditions on learning tasks that guarantee their continuity. We consider learning tasks given by conditional expectations $x \mapsto \mathrm{E}\left[Y \mid X = x\right]$, where the learning target $Y = f \circ L$ is a potentially pathological transformation of some underlying data-generating process $L$. Under a factorization $L = T \circ W$ for the data-generating process where $T$ is thought of as a deterministic map acting on some random input $W$, we establish conditions (that might be easily verified using knowledge of $T$ alone) that guarantee the continuity of practically \textit{any} derived learning task $x \mapsto \mathrm{E}\left[f \circ L \mid X = x\right]$. We motivate the realism of our conditions using the example of randomized stable matching, thus providing a theoretical justification for the continuity of real-world learning tasks.

Compressing neural network architectures is important to allow the deployment of models to embedded or mobile devices, and pruning and quantization are the major approaches to compress neural networks nowadays. Both methods benefit when compression parameters are selected specifically for each layer. Finding good combinations of compression parameters, so-called compression policies, is hard as the problem spans an exponentially large search space. Effective compression policies consider the influence of the specific hardware architecture on the used compression methods. We propose an algorithmic framework called Galen to search such policies using reinforcement learning utilizing pruning and quantization, thus providing automatic compression for neural networks. Contrary to other approaches we use inference latency measured on the target hardware device as an optimization goal. With that, the framework supports the compression of models specific to a given hardware target. We validate our approach using three different reinforcement learning agents for pruning, quantization and joint pruning and quantization. Besides proving the functionality of our approach we were able to compress a ResNet18 for CIFAR-10, on an embedded ARM processor, to 20% of the original inference latency without significant loss of accuracy. Moreover, we can demonstrate that a joint search and compression using pruning and quantization is superior to an individual search for policies using a single compression method.

Symmetry arises in many optimization and decision-making problems, and has attracted considerable attention from the optimization community: By utilizing the existence of such symmetries, the process of searching for optimal solutions can be improved significantly. Despite its success in (offline) optimization, the utilization of symmetries has not been well examined within the online optimization settings, especially in the bandit literature. As such, in this paper we study the invariant Lipschitz bandit setting, a subclass of the Lipschitz bandits where the reward function and the set of arms are preserved under a group of transformations. We introduce an algorithm named \texttt{UniformMesh-N}, which naturally integrates side observations using group orbits into the \texttt{UniformMesh} algorithm (\cite{Kleinberg2005_UniformMesh}), which uniformly discretizes the set of arms. Using the side-observation approach, we prove an improved regret upper bound, which depends on the cardinality of the group, given that the group is finite. We also prove a matching regret's lower bound for the invariant Lipschitz bandit class (up to logarithmic factors). We hope that our work will ignite further investigation of symmetry in bandit theory and sequential decision-making theory in general.

Humans are spectacular reinforcement learners, constantly learning from and adjusting to experience and feedback. Unfortunately, this doesn't necessarily mean humans are fast learners. When tasks are challenging, learning can become unacceptably slow. Fortunately, humans do not have to learn tabula rasa, and learning speed can be greatly increased with learning aids. In this work we validate a new type of learning aid -- reward shaping for humans via inverse reinforcement learning (IRL). The goal of this aid is to increase the speed with which humans can learn good policies for specific tasks. Furthermore this approach compliments alternative machine learning techniques such as safety features that try to prevent individuals from making poor decisions. To achieve our results we first extend a well known IRL algorithm via kernel methods. Afterwards we conduct two human subjects experiments using an online game where players have limited time to learn a good policy. We show with statistical significance that players who receive our learning aid are able to approach desired policies more quickly than the control group.

Active galactic nuclei (AGN) are supermassive black holes with luminous accretion disks found in some galaxies, and are thought to play an important role in galaxy evolution. However, traditional optical spectroscopy for identifying AGN requires time-intensive observations. We train a convolutional neural network (CNN) to distinguish AGN host galaxies from non-active galaxies using a sample of 210,000 Sloan Digital Sky Survey galaxies. We evaluate the CNN on 33,000 galaxies that are spectrally classified as composites, and find correlations between galaxy appearances and their CNN classifications, which hint at evolutionary processes that affect both galaxy morphology and AGN activity. With the advent of the Vera C. Rubin Observatory, Nancy Grace Roman Space Telescope, and other wide-field imaging telescopes, deep learning methods will be instrumental for quickly and reliably shortlisting AGN samples for future analyses.

In this work, we give efficient algorithms for privately estimating a Gaussian distribution in both pure and approximate differential privacy (DP) models with optimal dependence on the dimension in the sample complexity. In the pure DP setting, we give an efficient algorithm that estimates an unknown $d$-dimensional Gaussian distribution up to an arbitrary tiny total variation error using $\widetilde{O}(d^2 \log \kappa)$ samples while tolerating a constant fraction of adversarial outliers. Here, $\kappa$ is the condition number of the target covariance matrix. The sample bound matches best non-private estimators in the dependence on the dimension (up to a polylogarithmic factor). We prove a new lower bound on differentially private covariance estimation to show that the dependence on the condition number $\kappa$ in the above sample bound is also tight. Prior to our work, only identifiability results (yielding inefficient super-polynomial time algorithms) were known for the problem. In the approximate DP setting, we give an efficient algorithm to estimate an unknown Gaussian distribution up to an arbitrarily tiny total variation error using $\widetilde{O}(d^2)$ samples while tolerating a constant fraction of adversarial outliers. Prior to our work, all efficient approximate DP algorithms incurred a super-quadratic sample cost or were not outlier-robust. For the special case of mean estimation, our algorithm achieves the optimal sample complexity of $\widetilde O(d)$, improving on a $\widetilde O(d^{1.5})$ bound from prior work. Our pure DP algorithm relies on a recursive private preconditioning subroutine that utilizes the recent work on private mean estimation [Hopkins et al., 2022]. Our approximate DP algorithms are based on a substantial upgrade of the method of stabilizing convex relaxations introduced in [Kothari et al., 2022].

Optimal transport (OT) has become exceedingly popular in machine learning, data science, and computer vision. The core assumption in the OT problem is the equal total amount of mass in source and target measures, which limits its application. Optimal Partial Transport (OPT) is a recently proposed solution to this limitation. Similar to the OT problem, the computation of OPT relies on solving a linear programming problem (often in high dimensions), which can become computationally prohibitive. In this paper, we propose an efficient algorithm for calculating the OPT problem between two non-negative measures in one dimension. Next, following the idea of sliced OT distances, we utilize slicing to define the sliced OPT distance. Finally, we demonstrate the computational and accuracy benefits of the sliced OPT-based method in various numerical experiments. In particular, we show an application of our proposed Sliced-OPT in noisy point cloud registration.

Generative Adversarial Networks (GAN) training process, in most cases, apply Uniform or Gaussian sampling methods in the latent space, which probably spends most of the computation on examples that can be properly handled and easy to generate. Theoretically, importance sampling speeds up stochastic optimization in supervised learning by prioritizing training examples. In this paper, we explore the possibility of adapting importance sampling into adversarial learning. We use importance sampling to replace Uniform and Gaussian sampling methods in the latent space and employ normalizing flow to approximate latent space posterior distribution by density estimation. Empirically, results on MNIST and Fashion-MNIST demonstrate that our method significantly accelerates GAN's optimization while retaining visual fidelity in generated samples.

So I was wondering, basically the title. If my CNN model is trained to classify images into cat and dog, and I show it an image of a horse. My model should be giving either dog or a cat as the answer, however the confidence of this answer (passing horse through a softmax) should be low. But I have found that mostly the models are quite cocky with a high confidence that it is indeed a dog. Or a cat. So is there a better way? Is there a technique or method or algorithm that gives accurate confidence on a classification? submitted by /u/thanderrine [link] [comments]  ( 66 min )

I have a AI model embodiment project. POC is pretty far along. I need help to accelerate it to the finish: https://www.notion.so/Mind-Machine-Learning-2707060e25ec43978884b5e718c0c0d8 submitted by /u/bhartsb [link] [comments]  ( 66 min )

Hi Everyone, I've been catching up with the talks that happened in neurips 2022 as I could not follow it when it was happening because of my quarter finals. However I have not been able to figure out how to download the slides of the talks. Does anyone here know how to download them ? submitted by /u/sidney_lumet [link] [comments]  ( 66 min )

I have a AI model embodiment project. I need help to accelerate it: https://www.notion.so/Mind-Machine-Learning-2707060e25ec43978884b5e718c0c0d8 submitted by /u/bhartsb [link] [comments]  ( 53 min )

submitted by /u/palsh7 [link] [comments]  ( 53 min )

submitted by /u/TheblackRook3 [link] [comments]  ( 53 min )

submitted by /u/Seahorsejockey [link] [comments]  ( 54 min )

Listen to the podcast episode with Nicklas Hansen from UC San Diego where we discuss adapting reinforcement learning policies during deployment, why algorithms don't drive research progress, and much more! submitted by /u/thejashGI [link] [comments]  ( 53 min )

submitted by /u/Mk_Makanaki [link] [comments]  ( 57 min )

Hello everyone, I wanted to share a new video I just released on YouTube here called "Adversarial Discriminative Domain Adaptation (ADDA) Paper Explained." It's a deep dive into the concepts and techniques of ADDA, which is a powerful method for adapting machine learning models to new domains. If you're interested in machine learning and domain adaptation, I think you'll really enjoy it. Thanks for considering giving it a watch, and I hope you find it helpful! As always, feedback is extremely welcomed! submitted by /u/Personal-Trainer-541 [link] [comments]  ( 56 min )

The annual survey on the state of AI from McKinsey's QuantumBlack artificial intelligence division shows business adoption of the technology has doubled in the last five years. Half of the survey's respondents said their business has adopted AI in at least one business area. That's up from 20% of respondents in 2017. McKinsey also found that AI is being embedded into a wider range of business capabilities. The average user of AI in business is now using the technology in 3.8 applications, compared to 1.9 in 2018. The use of AI in business covers a spectrum of applications, including process automation, digital twins, and facial recognition. ​ https://preview.redd.it/8ds3zprg7b6a1.png?width=1148&format=png&auto=webp&s=3e05a9f8ded2841eb10462a24dc407b4e91778c5 ​ https://preview.redd.it/13k5tyyh7b6a1.png?width=1200&format=png&auto=webp&s=6fbeb7befac49f12d2acbda0626f5676cc9c4845 ​ This is from the AI With Vibes Newsletter, read the full issue here: https://aiwithvibes.beehiiv.com/p/ai-porn-billie-eilish-goes-viral-tiktok-chatgpt-brutally-destroyed-pun-competition submitted by /u/Mk_Makanaki [link] [comments]  ( 50 min )

I see on the internet a AI that's make photo like anime, but I don't want the app but maybe a API or Library to use in my program, anyone can help me? submitted by /u/gattolfo_EUG_ [link] [comments]  ( 53 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 53 min )

I wonder when we will have the perfect soul mate AI bot. A bot that functions as your best friend/soulmate, who can communicate with you, cheer you up, support you, entertain you, debate with you, make jokes that are perfect for your particular sense of humor, order your favourite food online and have it arrive a few minutes after you get home, etc. I believe this would be a game changer not just for old people, who live alone, but for everyone. People would spend more time with that bot than with social media. When I see how good some of the recent AIs have becone, I wonder how long it will take until we get this. What do you think? submitted by /u/Consistent-Put-6551 [link] [comments]  ( 53 min )

A recent article I read discussed the most current AI news. A brand-new AI product on the market is getting a lot of attention. ChatGPT is a piece of software that allows people to converse with a computer by typing in a question or task, and the program will create a response that is intended to appear human. We fed it billions of Internet-sourced text samples to train it. Moreover, one of its distinguishing features is its ability to grasp and generate natural language. This indicates that it may answer naturally and conversationally, making it a helpful tool in various settings. However, how well the processing technology "understands" language is unknown. But still, it is getting people talking. According to the researchers, "you can have what looks dangerously similar to a human dialogue with it." ChatGPT has grown in popularity as a result of its ease of use. It has only been open to the public for 11 days, yet it already has over a million users, making it more popular than Facebook in less time. Although, it faces challenges that even the company behind it admits, such as a proclivity to make "nonsense" as it advances. Please let me know if you have any recommendations or believe this topic might interest you. https://www.cbc.ca/news/business/chatgpt-artificial-intelligence-1.6681401 submitted by /u/ricks_cloud [link] [comments]  ( 50 min )

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submitted by /u/Mk_Makanaki [link] [comments]  ( 50 min )

I asked Dall-E what it thinks it looks like. It's pretty cute. https://preview.redd.it/0soebkoyw86a1.jpg?width=447&format=pjpg&auto=webp&s=b2f35ec2537e2f10a033cd4c87be1d5d7eb3029f submitted by /u/ReclusiveEagle [link] [comments]  ( 46 min )

Very curious about AI and it seems like such an interesting concept, with seemingly infinite possibilities to help us with daily tasks, businesses, and so forth. I really want to get involved in AI and start creating my own projects but I did not study coding and feel like this would be a must for AI? Is it even remotely possible to get into AI and learn how to utilise its power without knowing fundamental coding principles? submitted by /u/-Adapted [link] [comments]  ( 52 min )

I'm almost certain this is already an idea someone thought of, but I had to write it out here anyways, just in case. I think a super interesting use for AI voice generation/cloning of someone else's voice could be to generate the vocal audio for movies, in different languages. This could also probably apply to the video too, since that's possible now also. I think real acting and vocals are the way to go first, but I think this could also be a great fill-in if the actor doesn't know different languages, or if the movie is under too low of a budget to record in different languages. Then you get the actor's same exact voice, but in different languages! Sounds surreal, and super cool. There's a lot more CGI in movies nowadays, and that has become the norm, so I imagine this could have a similar outcome if it started to happen more and more (relating this to CGI, from feeling foreign to becoming more popular and part of the norm). What's your thoughts? Not sure if I like it, but I do like it as an idea at least 😆 Edit: Inspired from the Tailosive Tech live stream, when Drew and his dad were talking about Star Trek https://m.youtube.com/watch?v=SZikYMGEXe4 submitted by /u/Offroaders123 [link] [comments]  ( 53 min )

Hello, I am working on a problem where I have a collection of product descriptions (which is a collection of 5-20 words) which I then need to classify into one of 110 classes. The description will sometimes vary between instances for each class. For example, the description for each class can be slightly different - also - the descriptions sometimes contain incomplete and or misspelled words. ​ Description Class black rubber watch with water proof band black 108 hex watch waterproof band black 108 hex watch black waterproof atch black 108 hex watch watch black black 108 hex watch blue watch blue 110 bit watch bit watch blue 110 bit watch watch blue blue 110 bit watch DescriptionClassblack rubber watch with water proof bandblack 108 hex watchwaterproof bandblack 108 hex watchblack watchblack 108 hex watchwatchblue 110 bite watchblue watchblue 110 bit watchblue bit watchblue 110 bit watch I have roughly 1,800 classified training data points which are heavily skewed toward a few more popular products. Does anyone have advice for solving this classification problem? Right now I'm using blazing text with ngrams = 5 and am achieving 50% accuracy. However, I am wondering if there is a simpler way to solve this? ​ If you're interested - these are current hypter params I'm using: ​ bt_model = sagemaker.estimator.Estimator( container, role, instance_count=1, instance_type="ml.c4.4xlarge", volume_size=30, max_run=360000, input_mode="File", output_path=s3_output_location, hyperparameters={ "mode": "supervised", "epochs": 500, "min_count": 1, "learning_rate": 0.05, "vector_dim": 10, "early_stopping": True, "patience": 5, "min_epochs": 10, "word_ngrams": 5, }, ) ​ submitted by /u/Melampus123 [link] [comments]  ( 67 min )

For a blog post on the topic of AI art, aimed at a complete laypeople audience, I'm trying to roughly explain the training phase of neural networks, and by extension, how a GAN creates images, without going into much technical detail. The takeaway should be that a GAN does not copy parts of images in the training data, but extrapolates their common features. Could you tell me if my analogy below is acceptable, and if not, suggest how to change it? Imagine a neural network AI as a sea of numbers, the numbers representing interconnecting currents of various strengths. The AI is shown an image of a cat, pixels converted to numerical values, each pixel stuffed into a bottle and thrown into the sea, all along the length of the shore. Each bottle is caught in a current and is carried on to following currents. Some bottles are carried to the left, some to the right, and some sink. Across the sea, a number of bottles beach on cat island, which represents the word "cat". A second image of a different cat is divided and thrown into the sea, but this time not all the same bottles beach on cat island. Noticing this, the algorithm semi-randomly changes the strengths of the sea's currents until a majority of bottles reach cat island in both cases. The process is repeated with a million images until the streams are so aligned that they carry the most bottled pixels to cat island in most cases. The resulting optimised neural network can now recognise cat images by the sum of bottles that end up in the "cat" category. Similarly, an image generating AI can learn from which spots on the shore it should throw bottled pixels into the sea to reach cat island, i.e. how to form an image that the other image recognition AI will label "cat". submitted by /u/Don_Patrick [link] [comments]  ( 66 min )

https://arxiv.org/pdf/2112.13314.pdf ​ Deep Learning (DL) frameworks are now widely used, simplifying the creation of complex models as well as their integration to various applications even to non DL experts. However, like any other programs, they are prone to bugs. This paper deals with the subcategory of bugs named silent bugs: they lead to wrong behavior but they do not cause system crashes or hangs, nor show an error message to the user. Such bugs are even more dangerous in DL applications and frameworks due to the “black-box” and stochastic nature of the systems (the end user can not understand how the model makes decisions). This paper presents the first empirical study of Keras and TensorFlow silent bugs, and their impact on users’ programs. We extracted closed issues related to Keras from the TensorFlow GitHub repository. Out of the 1,168 issues that we gathered, 77 were reproducible silent bugs affecting users’ programs. We categorized the bugs based on the effects on the users’ programs and the components where the issues occurred, using information from the issue reports. We then derived a threat level for each of the issues, based on the impact they had on the users’ programs. To assess the relevance of identified categories and the impact scale, we conducted an online survey with 103 DL developers. The participants generally agreed with the significant impact of silent bugs in DL libraries and acknowledged our findings (i.e., categories of silent bugs and the proposed impact scale). Finally, leveraging our analysis, we provide a set of guidelines to facilitate safeguarding against such bugs in DL frameworks. submitted by /u/Ok-Teacher-22 [link] [comments]  ( 66 min )

ChatGPT has taken the tech world by storm, but its older cousin GPT-3 is still relevant. Being able to connect to the text completion API through python allows you to use the large language model to generate synthetic data with bespoke distributions and relationships. The application is limited, however, as the lack of on-prem deployment limits your ability to show the model your proprietary data to learn from due to privacy concerns. Real data is complex, what do people think about using LLMs to generate synthetic data? Should they just stick to writing stories and jokes? submitted by /u/Djinn_Tonic4DataSci [link] [comments]  ( 61 min )

I am planning to take up an interesting NLP project, due to my limited exposure to NLP I am stuck at the moment. I want to extract 'goal' statements from lengthy reports. For example, the goals can be We would be reducing our carbon footprint by 50% by 2025 or Our company aims to increase the diversity in the work-force in upcoming months. Check below image for example text and highlighted goals. https://preview.redd.it/z6houyh7ra6a1.png?width=970&format=png&auto=webp&s=b3f6032bf14bff0932a6eee44444f86e5b82c67b How can I go about the process of goal extraction, I would like to get some pointers on possible NLP approaches I can start with ? submitted by /u/8hubham [link] [comments]  ( 60 min )

I am actively using ChatGPT nowadays to seek assistance in various tasks such as fixing grammatical errors in manuscripts, to provide simplified/coherent explanations on technical jargon etc. This is giving me an impression that future jobs related to "writing" such as proofreaders might run out of business. submitted by /u/ureepamuree [link] [comments]  ( 66 min )

Thanks to everyone who replied to our earlier post requesting pre-launch product feedback! We’re excited to announce that we’ve now publicly launched XetHub, a collaborative storage platform for data management. I’ve been in the MLOps space for ~10 years, and data is still the hardest unsolved open problem. Code is versioned using Git, data is stored somewhere else, and context often lives in a 3rd location like Slack or GDocs. This is why we built XetHub, a platform that enables teams to treat data like code, using Git. Unlike Git LFS, XetHub doesn’t just store the files. It uses content-defined chunking and Merkle Trees to dedupe against everything in history, allowing small changes in large files to be stored compactly. Here’s how it works: https://xethub.com/assets/docs/how-xet-deduplication-works XetHub includes a GitHub-like web interface that provides automatic CSV summaries and allows custom visualizations using Vega. And we know how painful downloading a huge repository can get, so we built Git-Xet mount—which, in seconds, provides a user-mode filesystem view over the repo. Today, XetHub works for 1 TB repositories, and we plan to scale to 100 TB in the next year. Our implementation is in Rust (client & cache + storage) and our web application is written in Go. XetHub is available today for Linux & Mac (Windows coming soon) and we’d love for you to try it out! More info here: https://xetdata.com/blog/2022/12/13/introducing-xethub https://xetdata.com/blog/2022/10/15/why-xetdata Hacker News discussion (launched on Show HN at #1): https://news.ycombinator.com/item?id=33969908 https://preview.redd.it/t9tf3kt5i96a1.png?width=1740&format=png&auto=webp&s=184dd57d9f3d4e1dea94f8ab02211f663e214e84 submitted by /u/rajatarya [link] [comments]  ( 69 min )

Hi ML practitioners, We wanted to bring to your attention another release of PyCM (Multi-class confusion matrix library in Python). In this version, ROCCurve class and PRCurve class are added to calculate and plot ROC Curve and Precision-Recall curve respectively. From now on, PyCM is able to calculate the area under curve of ROC and Precision-Recall curve for different threshold values using these new methods. ROC curve >>> crv = ROCCurve(actual_vector = np.array([1, 1, 2, 2]), probs = np.array([[0.1, 0.9], [0.4, 0.6], [0.35, 0.65], [0.8, 0.2]]), classes=[2, 1]) >>> crv.thresholds [0.1, 0.2, 0.35, 0.4, 0.6, 0.65, 0.8, 0.9] >>> auc_trp = crv.area() >>> auc_trp[1] 0.75 >>> auc_trp[2] 0.75 Precision-Recall curve >>> crv = PRCurve(actual_vector = np.array([1, 1, 2, 2]), probs = np.array([[0.1, 0.9], [0.4, 0.6], [0.35, 0.65], [0.8, 0.2]]), classes=[2, 1]) >>> crv.thresholds [0.1, 0.2, 0.35, 0.4, 0.6, 0.65, 0.8, 0.9] >>> auc_trp = crv.area() >>> auc_trp[1] 0.29166666666666663 >>> auc_trp[2] 0.29166666666666663 The complete change log of this version is available here. ​ Website: www.pycm.io Repo: https://github.com/sepandhaghighi/pycm ​ Hope you find it useful! submitted by /u/alirezazolanvari [link] [comments]  ( 63 min )

I am working on a research project, I am looking for some ideas from fellows. I have track sensor data with several variables on millisecond level. Now each 'dataset' is a session on the race track and the variables are temporally and spatially correlated. Now I have data from multiple session, and I am training a classfication models for these time series. How can I combine them into a single dataset or is it even appropriate to do it this way or rather train multiple models? I do have to say, the diffeent sessions have high variance with one another. submitted by /u/GingeryGnetum [link] [comments]  ( 64 min )

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I'm intrigued by random forests but it looks like there's really no open problems in this area. A quick skim on Google Scholar shows, mostly, applications of random forests in various industries/problems. Are there research groups working on random forests? submitted by /u/SpookyTardigrade [link] [comments]  ( 66 min )

Today, we’re happy to announce updates to our Amazon SageMaker Experiments capability of Amazon SageMaker that lets you organize, track, compare and evaluate machine learning (ML) experiments and model versions from any integrated development environment (IDE) using the SageMaker Python SDK or boto3, including local Jupyter Notebooks. Machine learning (ML) is an iterative process. When solving […]  ( 11 min )

Proper estimation of predictive uncertainty is fundamental in applications that involve critical decisions. Uncertainty can be used to assess the reliability of model predictions, trigger human intervention, or decide whether a model can be safely deployed in the wild. We introduce Fortuna, an open-source library for uncertainty quantification. Fortuna provides calibration methods, such as conformal […]  ( 7 min )

Amazon SageMaker Training Managed Warm Pools gives you the flexibility to opt in to reuse and hold on to the underlying infrastructure for a user-defined period of time. This is done while also maintaining the benefit of passing the undifferentiated heavy lifting of managing compute instances in to Amazon SageMaker Model Training. In this post, […]  ( 10 min )

In an increasingly data-centric world, enterprises must focus on gathering both valuable physical information and generating the information that they need but can’t easily capture. Data access, regulation, and compliance are an increasing source of friction for innovation in analytics and artificial intelligence (AI). For highly regulated sectors such as Financial Services, Healthcare, Life Sciences, […]  ( 11 min )

Developing and training successful machine learning (ML) fraud models requires access to large amounts of high-quality data. Sourcing this data is challenging because available datasets are sometimes not large enough or sufficiently unbiased to usefully train the ML model and may require significant cost and time. Regulation and privacy requirements further prevent data use or […]  ( 8 min )

Listen to the podcast episode with Nicklas Hansen from UC San Diego where we discuss adapting reinforcement learning policies during deployment, why algorithms don't drive research progress, and much more! submitted by /u/thejashGI [link] [comments]  ( 54 min )

Dear all, My research lab is looking to hire a full-time postdoctoral researcher to perform research on projects centered around applications of Reinforcement Learning in collaborative energy systems. Interested persons will be associated with the Design Informatics Laboratory at Stevens Institute of Technology, a tech focused university in Hoboken, NJ (right across the river from Manhattan). You will be responsible for researching, designing, and developing novel methods and algorithms for applications in the energy domain. Salary will be in the $65-80K range (well above the area PostDoc average of 57K). If you are interested, please feel free to reach out to me to discuss further. Unfortunately, due to a tight timeline, preference will be given to applicants who can start in Jan 2023. Thank you for your time. Regards, Phil submitted by /u/Design_Informatics [link] [comments]  ( 54 min )

Hey everyone, I am wondering how to control the inner loop gradient update in MAML. For my further explanations, I refer to the ray rllib nomenclature. In PPO, we have the parameters train_batch_size, sgd_minibatch_size, and num_sgd_iter to control the batchsize and number of SGD iterations for the training process. In MAML however, we have the parameters inner_adaptation_steps and train_batch_size. How do they control the inner loop gradient update? My understanding is, that if inner_adaptation_steps = 1 we collect all the samples of 1 episode and then we perform a gradient update. But how is the update prcoess working exactly? Do we perform several iterations of updating with minibatches like in PPO? Or is it just 1 gradient update with all samples of 1 episode? And what is the role of train_batch_size then? Can someone help, please? Thanks in advance! Best, Elektrochan submitted by /u/ElektroChan [link] [comments]  ( 58 min )

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Hello, Iam trying to use DDPG (stable baseline3) to solve a problem. I would like to know, how can we change the env sampled values with every episode "and it should be reproducible", using stable baseline. for example, assume we have an env where we harvest energy, we assume that the harvested energy is normally distributed for example, and then in every episode, I will sample DIFFERENT Values of my harvested energy.I would just like to emphasize again, that I would like that the different values of my harvested energy should be reproducible, so I can compare the RL method to other methods. PS: using stable baseline. submitted by /u/EnvironmentCrazy6381 [link] [comments]  ( 55 min )

Hey, I am currently writing my thesis and for that I am utilizing HRL. Since the definition of a SMDP and POMDP are clear to me, I am still struggling to define both together. So on the one hand, the agent is running under a SMDP, because the sub-behaviors it can execute are at different time scale and on the other hand, the state-space is only partially observable because it needs to reveal the environment in terms of a map. ​ Any ideas or hints ? Thaaaaaaaanks submitted by /u/Pitiful_Cloud437 [link] [comments]  ( 64 min )

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Does it make sense to apply confusion-matrix tools like PyCM to retrieve some useful information from a DRL algorithm, like during the learning process or for algorithm comparison, or anything else? Since I only use RL/DRL, which is an optimization task, I'm not very familiar with (un)supervised learning and these kinds of tools. (if yes) any use case? or (if not) any obvious reason which makes it worthless? I'll appreciate any answer, of course, so don't hesitate to give some insights or impressions about the topic. ​ Note: I'm not an English native, so I apologize if something is hard to understand (ask me if so and I'll try to improve the explanation). Also I'm a newbie posting questions, so I appreciate help in how to ask/structure better or adding helpful tags to the question. ​ Thank you a lot everyone submitted by /u/DavisEX33 [link] [comments]  ( 56 min )

Most Atari environments implementations make 4 frame stacking, but isn't it too much? I mean, if you want to determine velocity, you just need 2 samples; if you want to determine acceleration, you just need 3 samples. Why use 4? Isn't it less efficient? Also wouldn't it be cleaner to take the difference between each consecutive frame? That way, most of the image will be black (zeros) and only the thing that is moving will have some non-zero values. Wouldn't it be more efficient? submitted by /u/victorsevero [link] [comments]  ( 54 min )

A comparative analysis of DL techniques ⚖️  ( 21 min )

And how to use them effectively anyway  ( 18 min )

Our reality is a framework in which the brain exists to harbor the mind and the biological body exists to move the brain. Essentially, the…  ( 22 min )

A step-by-step guide to quickly writing any song using AI without any code Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 9 min )

A recent survey by McKinsey revealed that the respondents whom the consultancy classified as “AI high performers” attribute at least 20% of…  ( 20 min )

There’s no denying that the Internet of Things (IoT) is here to stay. It has changed how we live, work and play, making our lives more…  ( 13 min )

It is possible to simulate human intelligence in machines with artificial intelligence (AI) and machine learning (ML). These simulations…  ( 13 min )

Hello everyone, I wanted to share a new video I just released on YouTube here called "Adversarial Discriminative Domain Adaptation (ADDA) Paper Explained." It's a deep dive into the concepts and techniques of ADDA, which is a powerful method for adapting machine learning models to new domains. If you're interested in machine learning and domain adaptation, I think you'll really enjoy it. Thanks for considering giving it a watch, and I hope you find it helpful! As always, feedback is extremely welcomed! submitted by /u/Personal-Trainer-541 [link] [comments]  ( 57 min )

I am having some trouble thinking about the architecture of a NN for this problem I am trying to solve. The actual problem is quite complex, so for simplicity's sake, I'll use the example of a 100 v 100 game of dodgeball. At any point in the game, I would take a sample of the 10 players in the game with the most enemies eliminated. Note: This is not guaranteed to be 5 players per team, it may be uneven. For each of these 5 players, I would take in the following inputs (# of eliminations, their reaction time, and how quickly they can run a 40 yard dash). I was planning on each of the 10 players having their own separate NN that takes in these 3 inputs and gives an output between 0 to 1 where being closer to 1 means the player is better. My reasoning for this is that each player's attributes are independent: player 1's reaction time isn't related to player 2's reaction time. It logically also seems to make the problem simpler: the game is affected by how good the players from each team are. The players' skills are gauged by these 3 attributes. But the problem I am having is, now that I have gotten to this point and have rated the 10 players 0-1, how would I design a NN that takes in these 10 inputs and gives 1 output which is the probability that Team A will win the game? It doesn't really make sense to make a fully connected neural network because I am under the assumption that each player is independent and does not affect the other 9 players. On top of this, even if the players did have some relation to each other, the order of the players would be constantly switching. For example, the top 4 in one sample might be from teams ABAB, but in another sample, it might be BAAB. Should I even be using a NN for this problem? If I am not using a NN what should I be using? submitted by /u/Ceraphen [link] [comments]  ( 52 min )

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Data for All by John K. Thompson covers data in the most holistic sense. For someone that is not involved in data science, defining the term data can be difficult. If data science is the study of data, what exactly is being studied? Thompson starts at the beginning when defining a term that has increased… Read More »Taking Control of Your Online Presence with Data for All The post Taking Control of Your Online Presence with Data for All appeared first on Data Science Central.  ( 19 min )

But the harm from a discriminatory AI system can be minimized if the advice it delivers is properly framed, an MIT team has shown.  ( 9 min )

If AI had a highlight reel, the NVIDIA YouTube channel might just be it. The channel showcases the latest breakthroughs in artificial intelligence, with demos, keynotes and other videos that help viewers see and believe the astonishing ways in which the technology is changing the world. NVIDIA’s most popular videos of 2022 put spotlights on Read article > The post AI’s Highlight Reel: Top 5 NVIDIA Videos of 2022 appeared first on NVIDIA Blog.  ( 4 min )

A national initiative in semiconductors provides a once-in-a-generation opportunity to energize manufacturing in the U.S. The CHIPS and Science Act includes an $13 billion R&D investment in the chip industry. Done right, it’s a recipe for bringing advanced manufacturing techniques to every industry and cultivating a highly skilled workforce. The semiconductor industry uses the most Read article > The post Accelerated Computing, AI and Digital Twins: A Recipe for US Manufacturing Leadership appeared first on NVIDIA Blog.  ( 6 min )

To make transportation safer, autonomous vehicles (AVs) must have processes and underlying systems that meet the highest standards. NVIDIA DRIVE OS is the operating system for in-vehicle accelerated computing powered by the NVIDIA DRIVE platform. DRIVE OS 5.2 is now functional safety-certified by TÜV SÜD, one of the most experienced and rigorous assessment bodies in Read article > The post Safe Travels: NVIDIA DRIVE OS Receives Premier Safety Certification appeared first on NVIDIA Blog.  ( 5 min )

World record marathon times have been falling in increments of roughly 30 seconds, each new record shaving roughly 30 seconds off the previous record. If someone were to set a new record, taking 20 seconds off the previous record, this would be exciting, but not suspicious. If someone were to take 5 minutes off the […] Surprisingly not that surprising first appeared on John D. Cook.  ( 6 min )

Self-Supervised Learning (SSL) has been shown to learn useful and information-preserving representations. Neural Networks (NNs) are widely applied, yet their weight space is still not fully understood. Therefore, we propose to use SSL to learn hyper-representations of the weights of populations of NNs. To that end, we introduce domain specific data augmentations and an adapted attention architecture. Our empirical evaluation demonstrates that self-supervised representation learning in this domain is able to recover diverse NN model characteristics. Further, we show that the proposed learned representations outperform prior work for predicting hyper-parameters, test accuracy, and generalization gap as well as transfer to out-of-distribution settings.  ( 2 min )

Deep Neural Networks (DNNs) suffer from domain shift when the test dataset follows a distribution different from the training dataset. Domain generalization aims to tackle this issue by learning a model that can generalize to unseen domains. In this paper, we propose a new approach that aims to explicitly remove domain-specific features for domain generalization. Following this approach, we propose a novel framework called Learning and Removing Domain-specific features for Generalization (LRDG) that learns a domain-invariant model by tactically removing domain-specific features from the input images. Specifically, we design a classifier to effectively learn the domain-specific features for each source domain, respectively. We then develop an encoder-decoder network to map each input image into a new image space where the learned domain-specific features are removed. With the images output by the encoder-decoder network, another classifier is designed to learn the domain-invariant features to conduct image classification. Extensive experiments demonstrate that our framework achieves superior performance compared with state-of-the-art methods.  ( 2 min )

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.  ( 2 min )

This paper creates a novel method of deep neural style transfer by generating style images from freeform user text input. The language model and style transfer model form a seamless pipeline that can create output images with similar losses and improved quality when compared to baseline style transfer methods. The language model returns a closely matching image given a style text and description input, which is then passed to the style transfer model with an input content image to create a final output. A proof-of-concept tool is also developed to integrate the models and demonstrate the effectiveness of deep image style transfer from freeform text.  ( 2 min )

Electronic Health Records (EHRs) are a valuable asset to facilitate clinical research and point of care applications; however, many challenges such as data privacy concerns impede its optimal utilization. Deep generative models, particularly, Generative Adversarial Networks (GANs) show great promise in generating synthetic EHR data by learning underlying data distributions while achieving excellent performance and addressing these challenges. This work aims to review the major developments in various applications of GANs for EHRs and provides an overview of the proposed methodologies. For this purpose, we combine perspectives from healthcare applications and machine learning techniques in terms of source datasets and the fidelity and privacy evaluation of the generated synthetic datasets. We also compile a list of the metrics and datasets used by the reviewed works, which can be utilized as benchmarks for future research in the field. We conclude by discussing challenges in GANs for EHRs development and proposing recommended practices. We hope that this work motivates novel research development directions in the intersection of healthcare and machine learning.  ( 2 min )

How can we augment a dynamic graph for improving the performance of dynamic graph neural networks? Graph augmentation has been widely utilized to boost the learning performance of GNN-based models. However, most existing approaches only enhance spatial structure within an input static graph by transforming the graph, and do not consider dynamics caused by time such as temporal locality, i.e., recent edges are more influential than earlier ones, which remains challenging for dynamic graph augmentation. In this work, we propose TiaRa (Time-aware Random Walk Diffusion), a novel diffusion-based method for augmenting a dynamic graph represented as a discrete-time sequence of graph snapshots. For this purpose, we first design a time-aware random walk proximity so that a surfer can walk along the time dimension as well as edges, resulting in spatially and temporally localized scores. We then derive our diffusion matrices based on the time-aware random walk, and show they become enhanced adjacency matrices that both spatial and temporal localities are augmented. Throughout extensive experiments, we demonstrate that TiaRa effectively augments a given dynamic graph, and leads to significant improvements in dynamic GNN models for various graph datasets and tasks.  ( 2 min )

Continual Learning, also known as Lifelong or Incremental Learning, has recently gained renewed interest among the Artificial Intelligence research community. Recent research efforts have quickly led to the design of novel algorithms able to reduce the impact of the catastrophic forgetting phenomenon in deep neural networks. Due to this surge of interest in the field, many competitions have been held in recent years, as they are an excellent opportunity to stimulate research in promising directions. This paper summarizes the ideas, design choices, rules, and results of the challenge held at the 3rd Continual Learning in Computer Vision (CLVision) Workshop at CVPR 2022. The focus of this competition is the complex continual object detection task, which is still underexplored in literature compared to classification tasks. The challenge is based on the challenge version of the novel EgoObjects dataset, a large-scale egocentric object dataset explicitly designed to benchmark continual learning algorithms for egocentric category-/instance-level object understanding, which covers more than 1k unique main objects and 250+ categories in around 100k video frames.

Personalized chatbots focus on endowing the chatbots with a consistent personality to behave like real users and further act as personal assistants. Previous studies have explored generating implicit user profiles from the user's dialogue history for building personalized chatbots. However, these studies only use the response generation loss to train the entire model, thus it is prone to suffer from the problem of data sparsity. Besides, they overemphasize the final generated response's quality while ignoring the correlations and fusions between the user's dialogue history, leading to rough data representations and performance degradation. To tackle these problems, we propose a self-supervised learning framework MCP for capturing better representations from users' dialogue history for personalized chatbots. Specifically, we apply contrastive sampling methods to leverage the supervised signals hidden in user dialog history, and generate the pre-training samples for enhancing the model. We design three pre-training tasks based on three types of contrastive pairs from user dialogue history, namely response pairs, sequence augmentation pairs, and user pairs. We pre-train the utterance encoder and the history encoder towards the contrastive objectives and use these pre-trained encoders for generating user profiles while personalized response generation. Experimental results on two real-world datasets show a significant improvement in our proposed model MCP compared with the existing methods.

Complete depth information and efficient estimators have become vital ingredients in scene understanding for automated driving tasks. A major problem for LiDAR-based depth completion is the inefficient utilization of convolutions due to the lack of coherent information as provided by the sparse nature of uncorrelated LiDAR point clouds, which often leads to complex and resource-demanding networks. The problem is reinforced by the expensive aquisition of depth data for supervised training. In this work, we propose an efficient depth completion model based on a vgg05-like CNN architecture and propose a semi-supervised domain adaptation approach to transfer knowledge from synthetic to real world data to improve data-efficiency and reduce the need for a large database. In order to boost spatial coherence, we guide the learning process using segmentations as additional source of information. The efficiency and accuracy of our approach is evaluated on the KITTI dataset. Our approach improves on previous efficient and low parameter state of the art approaches while having a noticeably lower computational footprint.

Quantum computing is a promising paradigm based on quantum theory for performing fast computations. Quantum algorithms are expected to surpass their classical counterparts in terms of computational complexity for certain tasks, including machine learning. In this paper, we design, implement, and evaluate three hybrid quantum k-Means algorithms, exploiting different degree of parallelism. Indeed, each algorithm incrementally leverages quantum parallelism to reduce the complexity of the cluster assignment step up to a constant cost. In particular, we exploit quantum phenomena to speed up the computation of distances. The core idea is that the computation of distances between records and centroids can be executed simultaneously, thus saving time, especially for big datasets. We show that our hybrid quantum k-Means algorithms can be more efficient than the classical version, still obtaining comparable clustering results.

Tensor decomposition serves as a powerful primitive in statistics and machine learning. In this paper, we focus on using power iteration to decompose an overcomplete random tensor. Past work studying the properties of tensor power iteration either requires a non-trivial data-independent initialization, or is restricted to the undercomplete regime. Moreover, several papers implicitly suggest that logarithmically many iterations (in terms of the input dimension) are sufficient for the power method to recover one of the tensor components. In this paper, we analyze the dynamics of tensor power iteration from random initialization in the overcomplete regime. Surprisingly, we show that polynomially many steps are necessary for convergence of tensor power iteration to any of the true component, which refutes the previous conjecture. On the other hand, our numerical experiments suggest that tensor power iteration successfully recovers tensor components for a broad range of parameters, despite that it takes at least polynomially many steps to converge. To further complement our empirical evidence, we prove that a popular objective function for tensor decomposition is strictly increasing along the power iteration path. Our proof is based on the Gaussian conditioning technique, which has been applied to analyze the approximate message passing (AMP) algorithm. The major ingredient of our argument is a conditioning lemma that allows us to generalize AMP-type analysis to non-proportional limit and polynomially many iterations of the power method.

The convergence of stochastic interacting particle systems in the mean-field limit to solutions of conservative stochastic partial differential equations is established, with optimal rate of convergence. As a second main result, a quantitative central limit theorem for such SPDEs is derived, again, with optimal rate of convergence. The results apply, in particular, to the convergence in the mean-field scaling of stochastic gradient descent dynamics in overparametrized, shallow neural networks to solutions of SPDEs. It is shown that the inclusion of fluctuations in the limiting SPDE improves the rate of convergence, and retains information about the fluctuations of stochastic gradient descent in the continuum limit.

In this paper, we tackle a novel federated learning (FL) problem for optimizing a family of X-risks, to which no existing FL algorithms are applicable. In particular, the objective has the form of $\mathbb E_{z\sim S_1} f(\mathbb E_{z'\sim S_2} \ell(w; z, z'))$, where two sets of data $S_1, S_2$ are distributed over multiple machines, $\ell(\cdot)$ is a pairwise loss that only depends on the prediction outputs of the input data pairs $(z, z')$, and $f(\cdot)$ is possibly a non-linear non-convex function. This problem has important applications in machine learning, e.g., AUROC maximization with a pairwise loss, and partial AUROC maximization with a compositional loss. The challenges for designing an FL algorithm lie in the non-decomposability of the objective over multiple machines and the interdependency between different machines. To address the challenges, we propose an active-passive decomposition framework that decouples the gradient's components with two types, namely active parts and passive parts, where the active parts depend on local data that are computed with the local model and the passive parts depend on other machines that are communicated/computed based on historical models and samples. Under this framework, we develop two provable FL algorithms (FeDXL) for handling linear and nonlinear $f$, respectively, based on federated averaging and merging. We develop a novel theoretical analysis to combat the latency of the passive parts and the interdependency between the local model parameters and the involved data for computing local gradient estimators. We establish both iteration and communication complexities and show that using the historical samples and models for computing the passive parts do not degrade the complexities. We conduct empirical studies of FeDXL for deep AUROC and partial AUROC maximization, and demonstrate their performance compared with several baselines.

Over the last few years, research in automatic sleep scoring has mainly focused on developing increasingly complex deep learning architectures. However, recently these approaches achieved only marginal improvements, often at the expense of requiring more data and more expensive training procedures. Despite all these efforts and their satisfactory performance, automatic sleep staging solutions are not widely adopted in a clinical context yet. We argue that most deep learning solutions for sleep scoring are limited in their real-world applicability as they are hard to train, deploy, and reproduce. Moreover, these solutions lack interpretability and transparency, which are often key to increase adoption rates. In this work, we revisit the problem of sleep stage classification using classical machine learning. Results show that competitive performance can be achieved with a conventional machine learning pipeline consisting of preprocessing, feature extraction, and a simple machine learning model. In particular, we analyze the performance of a linear model and a non-linear (gradient boosting) model. Our approach surpasses state-of-the-art (that uses the same data) on two public datasets: Sleep-EDF SC-20 (MF1 0.810) and Sleep-EDF ST (MF1 0.795), while achieving competitive results on Sleep-EDF SC-78 (MF1 0.775) and MASS SS3 (MF1 0.817). We show that, for the sleep stage scoring task, the expressiveness of an engineered feature vector is on par with the internally learned representations of deep learning models. This observation opens the door to clinical adoption, as a representative feature vector allows to leverage both the interpretability and successful track record of traditional machine learning models.

A self-supervised multi-task learning (SSMTL) framework for video anomaly detection was recently introduced in literature. Due to its highly accurate results, the method attracted the attention of many researchers. In this work, we revisit the self-supervised multi-task learning framework, proposing several updates to the original method. First, we study various detection methods, e.g. based on detecting high-motion regions using optical flow or background subtraction, since we believe the currently used pre-trained YOLOv3 is suboptimal, e.g. objects in motion or objects from unknown classes are never detected. Second, we modernize the 3D convolutional backbone by introducing multi-head self-attention modules, inspired by the recent success of vision transformers. As such, we alternatively introduce both 2D and 3D convolutional vision transformer (CvT) blocks. Third, in our attempt to further improve the model, we study additional self-supervised learning tasks, such as predicting segmentation maps through knowledge distillation, solving jigsaw puzzles, estimating body pose through knowledge distillation, predicting masked regions (inpainting), and adversarial learning with pseudo-anomalies. We conduct experiments to assess the performance impact of the introduced changes. Upon finding more promising configurations of the framework, dubbed SSMTL++v1 and SSMTL++v2, we extend our preliminary experiments to more data sets, demonstrating that our performance gains are consistent across all data sets. In most cases, our results on Avenue, ShanghaiTech and UBnormal raise the state-of-the-art performance bar to a new level.

Neuroimaging-based prediction methods for intelligence and cognitive abilities have seen a rapid development in literature. Among different neuroimaging modalities, prediction based on functional connectivity (FC) has shown great promise. Most literature has focused on prediction using static FC, but there are limited investigations on the merits of such analysis compared to prediction based on dynamic FC or region level functional magnetic resonance imaging (fMRI) times series that encode temporal variability. To account for the temporal dynamics in fMRI data, we propose a deep neural network involving bi-directional long short-term memory (bi-LSTM) approach that also incorporates feature selection mechanism. The proposed pipeline is implemented via an efficient GPU computation framework and applied to predict intelligence scores based on region level fMRI time series as well as dynamic FC. We compare the prediction performance for different intelligence measures based on static FC, dynamic FC, and region level time series acquired from the Adolescent Brain Cognitive Development (ABCD) study involving close to 7000 individuals. Our detailed analysis illustrates that static FC consistently has inferior prediction performance compared to region level time series or dynamic FC for unimodal rest and task fMRI experiments, and in almost all cases using a combination of task and rest features. In addition, the proposed bi-LSTM pipeline based on region level time series identifies several shared and differential important brain regions across task and rest fMRI experiments that drive intelligence prediction. A test-retest analysis of the selected features shows strong reliability across cross-validation folds. Given the large sample size from ABCD study, our results provide strong evidence that superior prediction of intelligence can be achieved by accounting for temporal variations in fMRI.

Bayesian inference for high-dimensional inverse problems is computationally costly and requires selecting a suitable prior distribution. Amortized variational inference addresses these challenges via a neural network that acts as a surrogate conditional distribution, matching the posterior distribution not only for one instance of data, but a distribution of data pertaining to a specific inverse problem. During inference, the neural network -- in our case a conditional normalizing flow -- provides posterior samples with virtually no cost. However, the accuracy of Amortized variational inference relies on the availability of high-fidelity training data, which seldom exists in geophysical inverse problems due to the Earth's heterogeneity. In addition, the network is prone to errors if evaluated over out-of-distribution data. As such, we propose to increases the resilience of amortized variational inference in presence of moderate data distribution shifts. We achieve this via a correction to the latent distribution that improves the posterior distribution approximation for the data at hand. The correction involves relaxing the standard Gaussian assumption on the latent distribution and parameterizing it via a Gaussian distribution with an unknown mean and (diagonal) covariance. These unknowns are then estimated by minimizing the Kullback-Leibler divergence between the corrected and (physics-based) true posterior distributions. While generic and applicable to other inverse problems, by means of a linearized seismic imaging example, we show that our correction step improves the robustness of amortized variational inference with respect to changes in number of seismic sources, noise variance, and shifts in the prior distribution. This approach provides a seismic image with limited artifacts and an assessment of its uncertainty with approximately the same cost as five reverse-time migrations.

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance, but the vast chemical space and the limited availability of property labels make supervised learning challenging. Recently, unsupervised transformer-based language models pretrained on a large unlabelled corpus have produced state-of-the-art results in many downstream natural language processing tasks. Inspired by this development, we present molecular embeddings obtained by training an efficient transformer encoder model, MoLFormer, which uses rotary positional embeddings. This model employs a linear attention mechanism, coupled with highly distributed training, on SMILES sequences of 1.1 billion unlabelled molecules from the PubChem and ZINC datasets. We show that the learned molecular representation outperforms existing baselines, including supervised and self-supervised graph neural networks and language models, on several downstream tasks from ten benchmark datasets. They perform competitively on two others. Further analyses, specifically through the lens of attention, demonstrate that MoLFormer trained on chemical SMILES indeed learns the spatial relationships between atoms within a molecule. These results provide encouraging evidence that large-scale molecular language models can capture sufficient chemical and structural information to predict various distinct molecular properties, including quantum-chemical properties.

As the number of heterogenous IP-connected devices and traffic volume increase, so does the potential for security breaches. The undetected exploitation of these breaches can bring severe cybersecurity and privacy risks. Anomaly-based \acp{IDS} play an essential role in network security. In this paper, we present a practical unsupervised anomaly-based deep learning detection system called ARCADE (Adversarially Regularized Convolutional Autoencoder for unsupervised network anomaly DEtection). With a convolutional \ac{AE}, ARCADE automatically builds a profile of the normal traffic using a subset of raw bytes of a few initial packets of network flows so that potential network anomalies and intrusions can be efficiently detected before they cause more damage to the network. ARCADE is trained exclusively on normal traffic. An adversarial training strategy is proposed to regularize and decrease the \ac{AE}'s capabilities to reconstruct network flows that are out-of-the-normal distribution, thereby improving its anomaly detection capabilities. The proposed approach is more effective than state-of-the-art deep learning approaches for network anomaly detection. Even when examining only two initial packets of a network flow, ARCADE can effectively detect malware infection and network attacks. ARCADE presents 20 times fewer parameters than baselines, achieving significantly faster detection speed and reaction time.

Within the coming decades, artificial general intelligence (AGI) may surpass human capabilities at a wide range of important tasks. We outline a case for expecting that, without substantial effort to prevent it, AGIs could learn to pursue goals which are very undesirable (in other words, misaligned) from a human perspective. We argue that AGIs trained in similar ways as today's most capable models could learn to act deceptively to receive higher reward; learn internally-represented goals which generalize beyond their training distributions; and pursue those goals using power-seeking strategies. We outline how the deployment of misaligned AGIs might irreversibly undermine human control over the world, and briefly review research directions aimed at preventing these problems.

Traditionally, deep learning methods for breast cancer classification perform a single-view analysis. However, radiologists simultaneously analyze all four views that compose a mammography exam, owing to the correlations contained in mammography views, which present crucial information for identifying tumors. In light of this, some studies have started to propose multi-view methods. Nevertheless, in such existing architectures, mammogram views are processed as independent images by separate convolutional branches, thus losing correlations among them. To overcome such limitations, in this paper we propose a novel approach for multi-view breast cancer classification based on parameterized hypercomplex neural networks. Thanks to hypercomplex algebra properties, our networks are able to model, and thus leverage, existing correlations between the different views that comprise a mammogram, thus mimicking the reading process performed by clinicians. The proposed methods are able to handle the information of a patient altogether without breaking the multi-view nature of the exam. We define architectures designed to process two-view exams, namely PHResNets, and four-view exams, i.e., PHYSEnet and PHYBOnet. Through an extensive experimental evaluation conducted with publicly available datasets, we demonstrate that our proposed models clearly outperform real-valued counterparts and also state-of-the-art methods, proving that breast cancer classification benefits from the proposed multi-view architectures. We also assess the method's robustness beyond mammogram analysis by considering different benchmarks, as well as a finer-scaled task such as segmentation. Full code and pretrained models for complete reproducibility of our experiments are freely available at: https://github.com/ispamm/PHBreast.

Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of parallelisation has hindered its practical applications. In this work, we propose a parallelised (batch) BQ method, employing techniques from kernel quadrature, that possesses an empirically exponential convergence rate. Additionally, just as with Nested Sampling, our method permits simultaneous inference of both posteriors and model evidence. Samples from our BQ surrogate model are re-selected to give a sparse set of samples, via a kernel recombination algorithm, requiring negligible additional time to increase the batch size. Empirically, we find that our approach significantly outperforms the sampling efficiency of both state-of-the-art BQ techniques and Nested Sampling in various real-world datasets, including lithium-ion battery analytics.

Recent advances in sophisticated synthetic speech generated from text-to-speech (TTS) or voice conversion (VC) systems cause threats to the existing automatic speaker verification (ASV) systems. Since such synthetic speech is generated from diverse algorithms, generalization ability with using limited training data is indispensable for a robust anti-spoofing system. In this work, we propose a transfer learning scheme based on the wav2vec 2.0 pretrained model with variational information bottleneck (VIB) for speech anti-spoofing task. Evaluation on the ASVspoof 2019 logical access (LA) database shows that our method improves the performance of distinguishing unseen spoofed and genuine speech, outperforming current state-of-the-art anti-spoofing systems. Furthermore, we show that the proposed system improves performance in low-resource and cross-dataset settings of anti-spoofing task significantly, demonstrating that our system is also robust in terms of data size and data distribution.

Consider the relationship between a regulator (the principal) and a pharmaceutical company (the agent). The pharmaceutical company wishes to sell a product to make a profit, and the FDA wishes to ensure that only efficacious drugs are released to the public. The efficacy of the drug is not known to the FDA, so the pharmaceutical company must run a costly trial to prove efficacy to the FDA. Critically, the statistical protocol used to establish efficacy affects the behavior of a strategic, self-interested pharmaceutical company; a lower standard of statistical evidence incentivizes the pharmaceutical company to run more trials for drugs that are less likely to be effective, since the drug may pass the trial by chance, resulting in large profits. The interaction between the statistical protocol and the incentives of the pharmaceutical company is crucial to understanding this system and designing protocols with high social utility. In this work, we discuss how the principal and agent can enter into a contract with payoffs based on statistical evidence. When there is stronger evidence for the quality of the product, the principal allows the agent to make a larger profit. We show how to design contracts that are robust to an agent's strategic actions, and derive the optimal contract in the presence of strategic behavior.

Function approximation is widely used in reinforcement learning to handle the computational difficulties associated with very large state spaces. However, function approximation introduces errors which may lead to instabilities when using approximate dynamic programming techniques to obtain the optimal policy. Therefore, techniques such as lookahead for policy improvement and m-step rollout for policy evaluation are used in practice to improve the performance of approximate dynamic programming with function approximation. We quantitatively characterize, for the first time, the impact of lookahead and m-step rollout on the performance of approximate dynamic programming (DP) with function approximation: (i) without a sufficient combination of lookahead and m-step rollout, approximate DP may not converge, (ii) both lookahead and m-step rollout improve the convergence rate of approximate DP, and (iii) lookahead helps mitigate the effect of function approximation and the discount factor on the asymptotic performance of the algorithm. Our results are presented for two approximate DP methods: one which uses least-squares regression to perform function approximation and another which performs several steps of gradient descent of the least-squares objective in each iteration.

Consider two forecasters, each making a single prediction for a sequence of events over time. We ask a relatively basic question: how might we compare these forecasters, either online or post-hoc, while avoiding unverifiable assumptions on how the forecasts and outcomes were generated? In this paper, we present a rigorous answer to this question by designing novel sequential inference procedures for estimating the time-varying difference in forecast scores. To do this, we employ confidence sequences (CS), which are sequences of confidence intervals that can be continuously monitored and are valid at arbitrary data-dependent stopping times ("anytime-valid"). The widths of our CSs are adaptive to the underlying variance of the score differences. Underlying their construction is a game-theoretic statistical framework, in which we further identify e-processes and p-processes for sequentially testing a weak null hypothesis -- whether one forecaster outperforms another on average (rather than always). Our methods do not make distributional assumptions on the forecasts or outcomes; our main theorems apply to any bounded scores, and we later provide alternative methods for unbounded scores. We empirically validate our approaches by comparing real-world baseball and weather forecasters.

Offline reinforcement learning (RL) leverages previously collected data for policy optimization without any further active exploration. Despite the recent interest in this problem, its theoretical results in neural network function approximation settings remain elusive. In this paper, we study the statistical theory of offline RL with deep ReLU network function approximation. In particular, we establish the sample complexity of $n = \tilde{\mathcal{O}}( H^{4 + 4 \frac{d}{\alpha}} \kappa_{\mu}^{1 + \frac{d}{\alpha}} \epsilon^{-2 - 2\frac{d}{\alpha}} )$ for offline RL with deep ReLU networks, where $\kappa_{\mu}$ is a measure of distributional shift, {$H = (1-\gamma)^{-1}$ is the effective horizon length}, $d$ is the dimension of the state-action space, $\alpha$ is a (possibly fractional) smoothness parameter of the underlying Markov decision process (MDP), and $\epsilon$ is a user-specified error. Notably, our sample complexity holds under two novel considerations: the Besov dynamic closure and the correlated structure. While the Besov dynamic closure subsumes the dynamic conditions for offline RL in the prior works, the correlated structure renders the prior works of offline RL with general/neural network function approximation improper or inefficient {in long (effective) horizon problems}. To the best of our knowledge, this is the first theoretical characterization of the sample complexity of offline RL with deep neural network function approximation under the general Besov regularity condition that goes beyond {the linearity regime} in the traditional Reproducing Hilbert kernel spaces and Neural Tangent Kernels.

To increase the adoption of counterfactual explanations in practice, several criteria that these should adhere to have been put forward in the literature. We propose counterfactual explanations using optimization with constraint learning (CE-OCL), a generic and flexible approach that addresses all these criteria and allows room for further extensions. Specifically, we discuss how we can leverage an optimization with constraint learning framework for the generation of counterfactual explanations, and how components of this framework readily map to the criteria. We also propose two novel modeling approaches to address data manifold closeness and diversity, which are two key criteria for practical counterfactual explanations. We test CE-OCL on several datasets and present our results in a case study. Compared against the current state-of-the-art methods, CE-OCL allows for more flexibility and has an overall superior performance in terms of several evaluation metrics proposed in related work.

It is known that neural networks have the problem of being over-confident when directly using the output label distribution to generate uncertainty measures. Existing methods mainly resolve this issue by retraining the entire model to impose the uncertainty quantification capability so that the learned model can achieve desired performance in accuracy and uncertainty prediction simultaneously. However, training the model from scratch is computationally expensive and may not be feasible in many situations. In this work, we consider a more practical post-hoc uncertainty learning setting, where a well-trained base model is given, and we focus on the uncertainty quantification task at the second stage of training. We propose a novel Bayesian meta-model to augment pre-trained models with better uncertainty quantification abilities, which is effective and computationally efficient. Our proposed method requires no additional training data and is flexible enough to quantify different uncertainties and easily adapt to different application settings, including out-of-domain data detection, misclassification detection, and trustworthy transfer learning. We demonstrate our proposed meta-model approach's flexibility and superior empirical performance on these applications over multiple representative image classification benchmarks.

The aim of this paper is to establish causal relationship between ride-sharing platform's policies and outcomes of interest under complex temporal and/or spatial dependent experiments. We propose a temporal/spatio-temporal varying coefficient decision process (VCDP) model to capture the dynamic treatment effects in temporal/spatio-temporal dependent experiments. We characterize the average treatment effect by decomposing it as the sum of direct effect (DE) and indirect effect (IE) and develop estimation and inference procedures for both DE and IE. We also establish the statistical properties (e.g., weak convergence and asymptotic power) of our models. We conduct extensive simulations and real data analyses to verify the usefulness of the proposed method.

Complex systems often contain feedback loops that can be described as cyclic causal models. Intervening in such systems may lead to counterintuitive effects, which cannot be inferred directly from the graph structure. After establishing a framework for differentiable soft interventions based on Lie groups, we take advantage of modern automatic differentiation techniques and their application to implicit functions in order to optimize interventions in cyclic causal models. We illustrate the use of this framework by investigating scenarios of transition to sustainable economies.

We present a methodology for integrating functional data into deep densely connected feed-forward neural networks. The model is defined for scalar responses with multiple functional and scalar covariates. A by-product of the method is a set of dynamic functional weights that can be visualized during the optimization process. This visualization leads to greater interpretability of the relationship between the covariates and the response relative to conventional neural networks. The model is shown to perform well in a number of contexts including prediction of new data and recovery of the true underlying functional weights; these results were confirmed through real applications and simulation studies. A forthcoming R package is developed on top of a popular deep learning library (Keras) allowing for general use of the approach.

Evaluation of generative models is mostly based on the comparison between the estimated distribution and the ground truth distribution in a certain feature space. To embed samples into informative features, previous works often use convolutional neural networks optimized for classification, which is criticized by recent studies. Therefore, various feature spaces have been explored to discover alternatives. Among them, a surprising approach is to use a randomly initialized neural network for feature embedding. However, the fundamental basis to employ the random features has not been sufficiently justified. In this paper, we rigorously investigate the feature space of models with random weights in comparison to that of trained models. Furthermore, we provide an empirical evidence to choose networks for random features to obtain consistent and reliable results. Our results indicate that the features from random networks can evaluate generative models well similarly to those from trained networks, and furthermore, the two types of features can be used together in a complementary way.

Koopman operators model nonlinear dynamics as a linear dynamic system acting on a nonlinear function as the state. This nonstandard state is often called a Koopman observable and is usually approximated numerically by a superposition of functions drawn from a dictionary. In a widely used algorithm, Extended Dynamic Mode Decomposition, the dictionary functions are drawn from a fixed class of functions. Recently, deep learning combined with EDMD has been used to learn novel dictionary functions in an algorithm called deep dynamic mode decomposition (deepDMD). The learned representation both (1) accurately models and (2) scales well with the dimension of the original nonlinear system. In this paper we analyze the learned dictionaries from deepDMD and explore the theoretical basis for their strong performance. We explore State-Inclusive Logistic Lifting (SILL) dictionary functions to approximate Koopman observables. Error analysis of these dictionary functions show they satisfy a property of subspace approximation, which we define as uniform finite approximate closure. Our results provide a hypothesis to explain the success of deep neural networks in learning numerical approximations to Koopman operators. Part 2 of this paper will extend this explanation by demonstrating the subspace invariant of heterogeneous dictionaries and presenting a head-to-head numerical comparison of deepDMD and low-parameter heterogeneous dictionary learning.

Erroneous correspondences between samples and their respective channel or target commonly arise in several real-world applications. For instance, whole-brain calcium imaging of freely moving organisms, multiple target tracking or multi-person contactless vital sign monitoring may be severely affected by mismatched sample-channel assignments. To systematically address this fundamental problem, we pose it as a signal reconstruction problem where we have lost correspondences between the samples and their respective channels. We show that under the assumption that the signals of interest admit a sparse representation over an overcomplete dictionary, unique signal recovery is possible. Our derivations reveal that the problem is equivalent to a structured unlabeled sensing problem without precise knowledge of the sensing matrix. Unfortunately, existing methods are neither robust to errors in the regressors nor do they exploit the structure of the problem. Therefore, we propose a novel robust two-step approach for the reconstruction of shuffled sparse signals. The performance and robustness of the proposed approach is illustrated in an application of whole-brain calcium imaging in computational neuroscience. The proposed framework can be generalized to sparse signal representations other than the ones considered in this work to be applied in a variety of real-world problems with imprecise measurement or channel assignment.

Training a neural network requires choosing a suitable learning rate, involving a trade-off between speed and effectiveness of convergence. While there has been considerable theoretical and empirical analysis of how large the learning rate can be, most prior work focuses only on late-stage training. In this work, we introduce the maximal initial learning rate $\eta^{\ast}$ - the largest learning rate at which a randomly initialized neural network can successfully begin training and achieve (at least) a given threshold accuracy. Using a simple approach to estimate $\eta^{\ast}$, we observe that in constant-width fully-connected ReLU networks, $\eta^{\ast}$ demonstrates different behavior to the maximum learning rate later in training. Specifically, we find that $\eta^{\ast}$ is well predicted as a power of $(\text{depth} \times \text{width})$, provided that (i) the width of the network is sufficiently large compared to the depth, and (ii) the input layer of the network is trained at a relatively small learning rate. We further analyze the relationship between $\eta^{\ast}$ and the sharpness $\lambda_{1}$ of the network at initialization, indicating that they are closely though not inversely related. We formally prove bounds for $\lambda_{1}$ in terms of $(\text{depth} \times \text{width})$ that align with our empirical results.

Multi-task learning (MTL) is a learning paradigm to learn multiple related tasks simultaneously with a single shared network where each task has a distinct personalized header network for fine-tuning. MTL can be integrated into a federated learning (FL) setting if tasks are distributed across clients and clients have a single shared network, leading to personalized federated learning (PFL). To cope with statistical heterogeneity in the federated setting across clients which can significantly degrade the learning performance, we use a distributed dynamic weighting approach. To perform the communication between the remote parameter server (PS) and the clients efficiently over the noisy channel in a power and bandwidth-limited regime, we utilize over-the-air (OTA) aggregation and hierarchical federated learning (HFL). Thus, we propose hierarchical over-the-air (HOTA) PFL with a dynamic weighting strategy which we call HOTA-FedGradNorm. Our algorithm considers the channel conditions during the dynamic weight selection process. We conduct experiments on a wireless communication system dataset (RadComDynamic). The experimental results demonstrate that the training speed with HOTA-FedGradNorm is faster compared to the algorithms with a naive static equal weighting strategy. In addition, HOTA-FedGradNorm provides robustness against the negative channel effects by compensating for the channel conditions during the dynamic weight selection process.

This paper proposes an active learning (AL) algorithm to solve regression problems based on inverse-distance weighting functions for selecting the feature vectors to query. The algorithm has the following features: (i) supports both pool-based and population-based sampling; (ii) is not tailored to a particular class of predictors; (iii) can handle known and unknown constraints on the queryable feature vectors; and (iv) can run either sequentially, or in batch mode, depending on how often the predictor is retrained. The potentials of the method are shown in numerical tests on illustrative synthetic problems and real-world datasets. An implementation of the algorithm, which we call IDEAL (Inverse-Distance based Exploration for Active Learning), is available at this http URL

We introduce a novel and highly tractable supervised learning approach based on neural networks that can be applied for the computation of model-free price bounds of, potentially high-dimensional, financial derivatives and for the determination of optimal hedging strategies attaining these bounds. In particular, our methodology allows to train a single neural network offline and then to use it online for the fast determination of model-free price bounds of a whole class of financial derivatives with current market data. We show the applicability of this approach and highlight its accuracy in several examples involving real market data. Further, we show how a neural network can be trained to solve martingale optimal transport problems involving fixed marginal distributions instead of financial market data.

It does not matter whether it is a job interview with Tech Giants, Wall Street firms, or a small startup; all candidates want to demonstrate their best selves or even present themselves better than they really are. Meanwhile, recruiters want to know the candidates' authentic selves and detect soft skills that prove an expert candidate would be a great fit in any company. Recruiters worldwide usually struggle to find employees with the highest level of these skills. Digital footprints can assist recruiters in this process by providing candidates' unique set of online activities, while social media delivers one of the largest digital footprints to track people. In this study, for the first time, we show that a wide range of behavioral competencies consisting of 16 in-demand soft skills can be automatically predicted from Instagram profiles based on the following lists and other quantitative features using machine learning algorithms. We also provide predictions on Big Five personality traits. Models were built based on a sample of 400 Iranian volunteer users who answered an online questionnaire and provided their Instagram usernames which allowed us to crawl the public profiles. We applied several machine learning algorithms to the uniformed data. Deep learning models mostly outperformed by demonstrating 70% and 69% average Accuracy in two-level and three-level classifications respectively. Creating a large pool of people with the highest level of soft skills, and making more accurate evaluations of job candidates is possible with the application of AI on social media user-generated data.

Contrastive learning (CL), which can extract the information shared between different contrastive views, has become a popular paradigm for vision representation learning. Inspired by the success in computer vision, recent work introduces CL into graph modeling, dubbed as graph contrastive learning (GCL). However, generating contrastive views in graphs is more challenging than that in images, since we have little prior knowledge on how to significantly augment a graph without changing its labels. We argue that typical data augmentation techniques (e.g., edge dropping) in GCL cannot generate diverse enough contrastive views to filter out noises. Moreover, previous GCL methods employ two view encoders with exactly the same neural architecture and tied parameters, which further harms the diversity of augmented views. To address this limitation, we propose a novel paradigm named model augmented GCL (MA-GCL), which will focus on manipulating the architectures of view encoders instead of perturbing graph inputs. Specifically, we present three easy-to-implement model augmentation tricks for GCL, namely asymmetric, random and shuffling, which can respectively help alleviate high- frequency noises, enrich training instances and bring safer augmentations. All three tricks are compatible with typical data augmentations. Experimental results show that MA-GCL can achieve state-of-the-art performance on node classification benchmarks by applying the three tricks on a simple base model. Extensive studies also validate our motivation and the effectiveness of each trick. (Code, data and appendix are available at https://github.com/GXM1141/MA-GCL. )

Scaling up neural networks has led to remarkable performance across a wide range of tasks. Moreover, performance often follows reliable scaling laws as a function of training set size, model size, and compute, which offers valuable guidance as large-scale experiments are becoming increasingly expensive. However, previous work on scaling laws has primarily used private data \& models or focused on uni-modal language or vision learning. To address these limitations, we investigate scaling laws for contrastive language-image pre-training (CLIP) with the public LAION dataset and the open-source OpenCLIP repository. Our large-scale experiments involve models trained on up to two billion image-text pairs and identify power law scaling for multiple downstream tasks including zero-shot classification, retrieval, linear probing, and end-to-end fine-tuning. We find that the training distribution plays a key role in scaling laws as the OpenAI and OpenCLIP models exhibit different scaling behavior despite identical model architectures and similar training recipes. We open-source our evaluation workflow and all models, including the largest public CLIP models, to ensure reproducibility and make scaling laws research more accessible. Source code and instructions to reproduce this study will be available at https://github.com/LAION-AI/scaling-laws-openclip

Does the dominant approach to learn representations (as a side effect of optimizing an expected cost for a single training distribution) remain a good approach when we are dealing with multiple distributions. Our thesis is that such scenarios are better served by representations that are "richer" than those obtained with a single optimization episode. This is supported by a collection of empirical results obtained with an apparently na\"ive ensembling technique: concatenating the representations obtained with multiple training episodes using the same data, model, algorithm, and hyper-parameters, but different random seeds. These independently trained networks perform similarly. Yet, in a number of scenarios involving new distributions, the concatenated representation performs substantially better than an equivalently sized network trained from scratch. This proves that the representations constructed by multiple training episodes are in fact different. Although their concatenation carries little additional information about the training task under the training distribution, it becomes substantially more informative when tasks or distributions change. Meanwhile, a single training episode is unlikely to yield such a redundant representation because the optimization process has no reason to accumulate features that do not incrementally improve the training performance.

Federated Learning (FL) is a collaborative machine learning (ML) framework that combines on-device training and server-based aggregation to train a common ML model among distributed agents. In this work, we propose an asynchronous FL design with periodic aggregation to tackle the straggler issue in FL systems. Considering limited wireless communication resources, we investigate the effect of different scheduling policies and aggregation designs on the convergence performance. Driven by the importance of reducing the bias and variance of the aggregated model updates, we propose a scheduling policy that jointly considers the channel quality and training data representation of user devices. The effectiveness of our channel-aware data-importance-based scheduling policy, compared with state-of-the-art methods proposed for synchronous FL, is validated through simulations. Moreover, we show that an "age-aware" aggregation weighting design can significantly improve the learning performance in an asynchronous FL setting.

Graphene quantum dots provide a platform for manipulating electron behaviors in two-dimensional (2D) Dirac materials. Most previous works were of the "forward" type in that the objective was to solve various confinement, transport and scattering problems with given structures that can be generated by, e.g., applying an external electrical field. There are applications such as cloaking or superscattering where the challenging problem of inverse design needs to be solved: finding a quantum-dot structure according to certain desired functional characteristics. A brute-force search of the system configuration based directly on the solutions of the Dirac equation is computational infeasible. We articulate a machine-learning approach to addressing the inverse-design problem where artificial neural networks subject to physical constraints are exploited to replace the rigorous Dirac equation solver. In particular, we focus on the problem of designing a quantum dot structure to generate both cloaking and superscattering in terms of the scattering efficiency as a function of the energy. We construct a physical loss function that enables accurate prediction of the scattering characteristics. We demonstrate that, in the regime of Klein tunneling, the scattering efficiency can be designed to vary over two orders of magnitudes, allowing any scattering curve to be generated from a proper combination of the gate potentials. Our physics-based machine-learning approach can be a powerful design tool for 2D Dirac material-based electronics.

Reinforcement learning is a machine learning approach based on behavioral psychology. It is focused on learning agents that can acquire knowledge and learn to carry out new tasks by interacting with the environment. However, a problem occurs when reinforcement learning is used in critical contexts where the users of the system need to have more information and reliability for the actions executed by an agent. In this regard, explainable reinforcement learning seeks to provide to an agent in training with methods in order to explain its behavior in such a way that users with no experience in machine learning could understand the agent's behavior. One of these is the memory-based explainable reinforcement learning method that is used to compute probabilities of success for each state-action pair using an episodic memory. In this work, we propose to make use of the memory-based explainable reinforcement learning method in a hierarchical environment composed of sub-tasks that need to be first addressed to solve a more complex task. The end goal is to verify if it is possible to provide to the agent the ability to explain its actions in the global task as well as in the sub-tasks. The results obtained showed that it is possible to use the memory-based method in hierarchical environments with high-level tasks and compute the probabilities of success to be used as a basis for explaining the agent's behavior.

We consider the sequential decision-making problem of making proactive request assignment and rejection decisions for a profit-maximizing operator of an autonomous mobility on demand system. We formalize this problem as a Markov decision process and propose a novel combination of multi-agent Soft Actor-Critic and weighted bipartite matching to obtain an anticipative control policy. Thereby, we factorize the operator's otherwise intractable action space, but still obtain a globally coordinated decision. Experiments based on real-world taxi data show that our method outperforms state of the art benchmarks with respect to performance, stability, and computational tractability.

Training adversarially robust discriminative (i.e., softmax) classifier has been the dominant approach to robust classification. Building on recent work on adversarial training (AT)-based generative models, we investigate using AT to learn unnormalized class-conditional density models and then performing generative robust classification. Our result shows that, under the condition of similar model capacities, the generative robust classifier achieves comparable performance to a baseline softmax robust classifier when the test data is clean or when the test perturbation is of limited size, and much better performance when the test perturbation size exceeds the training perturbation size. The generative classifier is also able to generate samples or counterfactuals that more closely resemble the training data, suggesting that the generative classifier can better capture the class-conditional distributions. In contrast to standard discriminative adversarial training where advanced data augmentation techniques are only effective when combined with weight averaging, we find it straightforward to apply advanced data augmentation to achieve better robustness in our approach. Our result suggests that the generative classifier is a competitive alternative to robust classification, especially for problems with limited number of classes.

This paper describes a simple yet efficient repetition-based modular system for speeding up air-traffic controllers (ATCos) training. E.g., a human pilot is still required in EUROCONTROL's ESCAPE lite simulator (see https://www.eurocontrol.int/simulator/escape) during ATCo training. However, this need can be substituted by an automatic system that could act as a pilot. In this paper, we aim to develop and integrate a pseudo-pilot agent into the ATCo training pipeline by merging diverse artificial intelligence (AI) powered modules. The system understands the voice communications issued by the ATCo, and, in turn, it generates a spoken prompt that follows the pilot's phraseology to the initial communication. Our system mainly relies on open-source AI tools and air traffic control (ATC) databases, thus, proving its simplicity and ease of replicability. The overall pipeline is composed of the following: (1) a submodule that receives and pre-processes the input stream of raw audio, (2) an automatic speech recognition (ASR) system that transforms audio into a sequence of words; (3) a high-level ATC-related entity parser, which extracts relevant information from the communication, i.e., callsigns and commands, and finally, (4) a speech synthesizer submodule that generates responses based on the high-level ATC entities previously extracted. Overall, we show that this system could pave the way toward developing a real proof-of-concept pseudo-pilot system. Hence, speeding up the training of ATCos while drastically reducing its overall cost.

Accurate traffic flow prediction, a hotspot for intelligent transportation research, is the prerequisite for mastering traffic and making travel plans. The speed of traffic flow can be affected by roads condition, weather, holidays, etc. Furthermore, the sensors to catch the information about traffic flow will be interfered with by environmental factors such as illumination, collection time, occlusion, etc. Therefore, the traffic flow in the practical transportation system is complicated, uncertain, and challenging to predict accurately. This paper proposes a deep encoder-decoder prediction framework based on variational Bayesian inference. A Bayesian neural network is constructed by combining variational inference with gated recurrent units (GRU) and used as the deep neural network unit of the encoder-decoder framework to mine the intrinsic dynamics of traffic flow. Then, the variational inference is introduced into the multi-head attention mechanism to avoid noise-induced deterioration of prediction accuracy. The proposed model achieves superior prediction performance on the Guangzhou urban traffic flow dataset over the benchmarks, particularly when the long-term prediction.

Word Sense Disambiguation (WSD) is an NLP task aimed at determining the correct sense of a word in a sentence from discrete sense choices. Although current systems have attained unprecedented performances for such tasks, the nonuniform distribution of word senses during training generally results in systems performing poorly on rare senses. To this end, we consider data augmentation to increase the frequency of these least frequent senses (LFS) to reduce the distributional bias of senses during training. We propose Sense-Maintained Sentence Mixup (SMSMix), a novel word-level mixup method that maintains the sense of a target word. SMSMix smoothly blends two sentences using mask prediction while preserving the relevant span determined by saliency scores to maintain a specific word's sense. To the best of our knowledge, this is the first attempt to apply mixup in NLP while preserving the meaning of a specific word. With extensive experiments, we validate that our augmentation method can effectively give more information about rare senses during training with maintained target sense label.

Long-form numerical reasoning in financial analysis aims to generate a reasoning program to calculate the correct answer for a given question. Previous work followed a retriever-generator framework, where the retriever selects key facts from a long-form document, and the generator generates a reasoning program based on retrieved facts. However, they treated all facts equally without considering the different contributions of facts with and without numbers. Meanwhile, the program consistency were ignored under supervised training, resulting in lower training accuracy and diversity. To solve these problems, we proposed APOLLO to improve the long-form numerical reasoning framework. For the retriever, we adopt a number-aware negative sampling strategy to enable the retriever to be more discriminative on key numerical facts. For the generator, we design consistency-based reinforcement learning and target program augmentation strategy based on the consistency of program execution results. Experimental results on the FinQA and ConvFinQA leaderboard verify the effectiveness of our proposed method, achieving the new state-of-the-art.

Part of Speech (POS) tagging is crucial to Natural Language Processing (NLP). It is a well-studied topic in several resource-rich languages. However, the development of computational linguistic resources is still in its infancy despite the existence of numerous languages that are historically and literary rich. Assamese, an Indian scheduled language, spoken by more than 25 million people, falls under this category. In this paper, we present a Deep Learning (DL)-based POS tagger for Assamese. The development process is divided into two stages. In the first phase, several pre-trained word embeddings are employed to train several tagging models. This allows us to evaluate the performance of the word embeddings in the POS tagging task. The top-performing model from the first phase is employed to annotate another set of new sentences. In the second phase, the model is trained further using the fresh dataset. Finally, we attain a tagging accuracy of 86.52% in F1 score. The model may serve as a baseline for further study on DL-based Assamese POS tagging.

Recent research has reported a performance degradation in self-supervised contrastive learning for specially designed efficient networks, such as MobileNet and EfficientNet. A common practice to address this problem is to introduce a pretrained contrastive teacher model and train the lightweight networks with distillation signals generated by the teacher. However, it is time and resource consuming to pretrain a teacher model when it is not available. In this work, we aim to establish a stronger baseline for lightweight contrastive models without using a pretrained teacher model. Specifically, we show that the optimal recipe for efficient models is different from that of larger models, and using the same training settings as ResNet50, as previous research does, is inappropriate. Additionally, we observe a common issu e in contrastive learning where either the positive or negative views can be noisy, and propose a smoothed version of InfoNCE loss to alleviate this problem. As a result, we successfully improve the linear evaluation results from 36.3\% to 62.3\% for MobileNet-V3-Large and from 42.2\% to 65.8\% for EfficientNet-B0 on ImageNet, closing the accuracy gap to ResNet50 with $5\times$ fewer parameters. We hope our research will facilitate the usage of lightweight contrastive models.

Explainable Artificial Intelligence (AI) in the form of an interpretable and semiautomatic approach to stage grading ocular pathologies such as Diabetic retinopathy, Hypertensive retinopathy, and other retinopathies on the backdrop of major systemic diseases. The experimental study aims to evaluate an explainable staged grading process without using deep Convolutional Neural Networks (CNNs) directly. Many current CNN-based deep neural networks used for diagnosing retinal disorders might have appreciable performance but fail to pinpoint the basis driving their decisions. To improve these decisions' transparency, we have proposed a clinician-in-the-loop assisted intelligent workflow that performs a retinal vascular assessment on the fundus images to derive quantifiable and descriptive parameters. The retinal vessel parameters meta-data serve as hyper-parameters for better interpretation and explainability of decisions. The semiautomatic methodology aims to have a federated approach to AI in healthcare applications with more inputs and interpretations from clinicians. The baseline process involved in the machine learning pipeline through image processing techniques for optic disc detection, vessel segmentation, and arteriole/venule identification.

Deep Neural Networks (DNN) are increasingly used as components of larger software systems that need to process complex data, such as images, written texts, audio/video signals. DNN predictions cannot be assumed to be always correct for several reasons, among which the huge input space that is dealt with, the ambiguity of some inputs data, as well as the intrinsic properties of learning algorithms, which can provide only statistical warranties. Hence, developers have to cope with some residual error probability. An architectural pattern commonly adopted to manage failure-prone components is the supervisor, an additional component that can estimate the reliability of the predictions made by untrusted (e.g., DNN) components and can activate an automated healing procedure when these are likely to fail, ensuring that the Deep Learning based System (DLS) does not cause damages, despite its main functionality being suspended. In this paper, we consider DLS that implement a supervisor by means of uncertainty estimation. After overviewing the main approaches to uncertainty estimation and discussing their pros and cons, we motivate the need for a specific empirical assessment method that can deal with the experimental setting in which supervisors are used, where the accuracy of the DNN matters only as long as the supervisor lets the DLS continue to operate. Then we present a large empirical study conducted to compare the alternative approaches to uncertainty estimation. We distilled a set of guidelines for developers that are useful to incorporate a supervisor based on uncertainty monitoring into a DLS.

Multi-object state estimation is a fundamental problem for robotic applications where a robot must interact with other moving objects. Typically, other objects' relevant state features are not directly observable, and must instead be inferred from observations. Particle filtering can perform such inference given approximate transition and observation models. However, these models are often unknown a priori, yielding a difficult parameter estimation problem since observations jointly carry transition and observation noise. In this work, we consider learning maximum-likelihood parameters using particle methods. Recent methods addressing this problem typically differentiate through time in a particle filter, which requires workarounds to the non-differentiable resampling step, that yield biased or high variance gradient estimates. By contrast, we exploit Fisher's identity to obtain a particle-based approximation of the score function (the gradient of the log likelihood) that yields a low variance estimate while only requiring stepwise differentiation through the transition and observation models. We apply our method to real data collected from autonomous vehicles (AVs) and show that it learns better models than existing techniques and is more stable in training, yielding an effective smoother for tracking the trajectories of vehicles around an AV.

Blockchain has empowered computer systems to be more secure using a distributed network. However, the current blockchain design suffers from fairness issues in transaction ordering. Miners are able to reorder transactions to generate profits, the so-called miner extractable value (MEV). Existing research recognizes MEV as a severe security issue and proposes potential solutions, including prominent Flashbots. However, previous studies have mostly analyzed blockchain data, which might not capture the impacts of MEV in a much broader AI society. Thus, in this research, we applied natural language processing (NLP) methods to comprehensively analyze topics in tweets on MEV. We collected more than 20000 tweets with \#MEV and \#Flashbots hashtags and analyzed their topics. Our results show that the tweets discussed profound topics of ethical concern, including security, equity, emotional sentiments, and the desire for solutions to MEV. We also identify the co-movements of MEV activities on blockchain and social media platforms. Our study contributes to the literature at the interface of blockchain security, MEV solutions, and AI ethics.

Explainability has become a central requirement for the development, deployment, and adoption of machine learning (ML) models and we are yet to understand what explanation methods can and cannot do. Several factors such as data, model prediction, hyperparameters used in training the model, and random initialization can all influence downstream explanations. While previous work empirically hinted that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we measure the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors (hyperparameters) (inputs to generate saliency-based Es or Ys). We discover that Y's relative direct influence on E follows an odd pattern; the influence is higher in the lowest-performing models than in mid-performing models, and it then decreases in the top-performing models. We believe our work is a promising first step towards providing better guidance for practitioners who can make more informed decisions in utilizing these explanations by knowing what factors are at play and how they relate to their end task.

We present a neural flow wavefunction, Gauge-Fermion FlowNet, and use it to simulate 2+1D lattice compact quantum electrodynamics with finite density dynamical fermions. The gauge field is represented by a neural network which parameterizes a discretized flow-based transformation of the amplitude while the fermionic sign structure is represented by a neural net backflow. This approach directly represents the $U(1)$ degree of freedom without any truncation, obeys Guass's law by construction, samples autoregressively avoiding any equilibration time, and variationally simulates Gauge-Fermion systems with sign problems accurately. In this model, we investigate confinement and string breaking phenomena in different fermion density and hopping regimes. We study the phase transition from the charge crystal phase to the vacuum phase at zero density, and observe the phase seperation and the net charge penetration blocking effect under magnetic interaction at finite density. In addition, we investigate a magnetic phase transition due to the competition effect between the kinetic energy of fermions and the magnetic energy of the gauge field. With our method, we further note potential differences on the order of the phase transitions between a continuous $U(1)$ system and one with finite truncation. Our state-of-the-art neural network approach opens up new possibilities to study different gauge theories coupled to dynamical matter in higher dimensions.

Physics-Informed Neural Networks (PINNs) are gaining popularity as a method for solving differential equations. While being more feasible in some contexts than the classical numerical techniques, PINNs still lack credibility. A remedy for that can be found in Uncertainty Quantification (UQ) which is just beginning to emerge in the context of PINNs. Assessing how well the trained PINN complies with imposed differential equation is the key to tackling uncertainty, yet there is lack of comprehensive methodology for this task. We propose a framework for UQ in Bayesian PINNs (B-PINNs) that incorporates the discrepancy between the B-PINN solution and the unknown true solution. We exploit recent results on error bounds for PINNs on linear dynamical systems and demonstrate the predictive uncertainty on a class of linear ODEs.

Ensemble learning serves as a straightforward way to improve the performance of almost any machine learning algorithm. Existing deep ensemble methods usually naively train many different models and then aggregate their predictions. This is not optimal in our view from two aspects: i) Naively training multiple models adds much more computational burden, especially in the deep learning era; ii) Purely optimizing each base model without considering their interactions limits the diversity of ensemble and performance gains. We tackle these issues by proposing deep negative correlation classification (DNCC), in which the accuracy and diversity trade-off is systematically controlled by decomposing the loss function seamlessly into individual accuracy and the correlation between individual models and the ensemble. DNCC yields a deep classification ensemble where the individual estimator is both accurate and negatively correlated. Thanks to the optimized diversities, DNCC works well even when utilizing a shared network backbone, which significantly improves its efficiency when compared with most existing ensemble systems. Extensive experiments on multiple benchmark datasets and network structures demonstrate the superiority of the proposed method.

Cutting planes are a crucial component of state-of-the-art mixed-integer programming solvers, with the choice of which subset of cuts to add being vital for solver performance. We propose new distance-based measures to qualify the value of a cut by quantifying the extent to which it separates relevant parts of the relaxed feasible set. For this purpose, we use the analytic centers of the relaxation polytope or of its optimal face, as well as alternative optimal solutions of the linear programming relaxation. We assess the impact of the choice of distance measure on root node performance and throughout the whole branch-and-bound tree, comparing our measures against those prevalent in the literature. Finally, by a multi-output regression, we predict the relative performance of each measure, using static features readily available before the separation process. Our results indicate that analytic center-based methods help to significantly reduce the number of branch-and-bound nodes needed to explore the search space and that our multiregression approach can further improve on any individual method.

The standard empirical risk minimization (ERM) can underperform on certain minority groups (i.e., waterbirds in lands or landbirds in water) due to the spurious correlation between the input and its label. Several studies have improved the worst-group accuracy by focusing on the high-loss samples. The hypothesis behind this is that such high-loss samples are \textit{spurious-cue-free} (SCF) samples. However, these approaches can be problematic since the high-loss samples may also be samples with noisy labels in the real-world scenarios. To resolve this issue, we utilize the predictive uncertainty of a model to improve the worst-group accuracy under noisy labels. To motivate this, we theoretically show that the high-uncertainty samples are the SCF samples in the binary classification problem. This theoretical result implies that the predictive uncertainty is an adequate indicator to identify SCF samples in a noisy label setting. Motivated from this, we propose a novel ENtropy based Debiasing (END) framework that prevents models from learning the spurious cues while being robust to the noisy labels. In the END framework, we first train the \textit{identification model} to obtain the SCF samples from a training set using its predictive uncertainty. Then, another model is trained on the dataset augmented with an oversampled SCF set. The experimental results show that our END framework outperforms other strong baselines on several real-world benchmarks that consider both the noisy labels and the spurious-cues.

Deep neural networks have been successfully adopted to diverse domains including pathology classification based on medical images. However, large-scale and high-quality data to train powerful neural networks are rare in the medical domain as the labeling must be done by qualified experts. Researchers recently tackled this problem with some success by taking advantage of models pre-trained on large-scale general domain data. Specifically, researchers took contrastive image-text encoders (e.g., CLIP) and fine-tuned it with chest X-ray images and paired reports to perform zero-shot pathology classification, thus completely removing the need for pathology-annotated images to train a classification model. Existing studies, however, fine-tuned the pre-trained model with the same contrastive learning objective, and failed to exploit the multi-labeled nature of medical image-report pairs. In this paper, we propose a new fine-tuning strategy based on sentence sampling and positive-pair loss relaxation for improving the downstream zero-shot pathology classification performance, which can be applied to any pre-trained contrastive image-text encoders. Our method consistently showed dramatically improved zero-shot pathology classification performance on four different chest X-ray datasets and 3 different pre-trained models (5.77% average AUROC increase). In particular, fine-tuning CLIP with our method showed much comparable or marginally outperformed to board-certified radiologists (0.619 vs 0.625 in F1 score and 0.530 vs 0.544 in MCC) in zero-shot classification of five prominent diseases from the CheXpert dataset.

We present a method for providing statistical guarantees on runtime safety and goal reachability for integrated planning and control of a class of systems with unknown nonlinear stochastic underactuated dynamics. Specifically, given a dynamics dataset, our method jointly learns a mean dynamics model, a spatially-varying disturbance bound that captures the effect of noise and model mismatch, and a feedback controller based on contraction theory that stabilizes the learned dynamics. We propose a sampling-based planner that uses the mean dynamics model and simultaneously bounds the closed-loop tracking error via a learned disturbance bound. We employ techniques from Extreme Value Theory (EVT) to estimate, to a specified level of confidence, several constants which characterize the learned components and govern the size of the tracking error bound. This ensures plans are guaranteed to be safely tracked at runtime. We validate that our guarantees translate to empirical safety in simulation on a 10D quadrotor, and in the real world on a physical CrazyFlie quadrotor and Clearpath Jackal robot, whereas baselines that ignore the model error and stochasticity are unsafe.

This paper is a technical overview of DeepMind and Google's recent work on reinforcement learning for controlling commercial cooling systems. Building on expertise that began with cooling Google's data centers more efficiently, we recently conducted live experiments on two real-world facilities in partnership with Trane Technologies, a building management system provider. These live experiments had a variety of challenges in areas such as evaluation, learning from offline data, and constraint satisfaction. Our paper describes these challenges in the hope that awareness of them will benefit future applied RL work. We also describe the way we adapted our RL system to deal with these challenges, resulting in energy savings of approximately 9% and 13% respectively at the two live experiment sites.

The circular coordinates algorithm of de Silva, Morozov, and Vejdemo-Johansson takes as input a dataset together with a cohomology class representing a $1$-dimensional hole in the data; the output is a map from the data into the circle that captures this hole, and that is of minimum energy in a suitable sense. However, when applied to several cohomology classes, the output circle-valued maps can be "geometrically correlated" even if the chosen cohomology classes are linearly independent. It is shown in the original work that less correlated maps can be obtained with suitable integer linear combinations of the cohomology classes, with the linear combinations being chosen by inspection. In this paper, we identify a formal notion of geometric correlation between circle-valued maps which, in the Riemannian manifold case, corresponds to the Dirichlet form, a bilinear form derived from the Dirichlet energy. We describe a systematic procedure for constructing low energy torus-valued maps on data, starting from a set of linearly independent cohomology classes. We showcase our procedure with computational examples. Our main algorithm is based on the Lenstra--Lenstra--Lov\'asz algorithm from computational number theory.

Spatio-temporal machine learning is critically needed for a variety of societal applications, such as agricultural monitoring, hydrological forecast, and traffic management. These applications greatly rely on regional features that characterize spatial and temporal differences. However, spatio-temporal data are often complex and pose several unique challenges for machine learning models: 1) multiple models are needed to handle region-based data patterns that have significant spatial heterogeneity across different locations; 2) local models trained on region-specific data have limited ability to adapt to other regions that have large diversity and abnormality; 3) spatial and temporal variations entangle data complexity that requires more robust and adaptive models; 4) limited spatial-temporal data in real scenarios (e.g., crop yield data is collected only once a year) makes the problems intrinsically challenging. To bridge these gaps, we propose task-adaptive formulations and a model-agnostic meta-learning framework that ensembles regionally heterogeneous data into location-sensitive meta tasks. We conduct task adaptation following an easy-to-hard task hierarchy in which different meta models are adapted to tasks of different difficulty levels. One major advantage of our proposed method is that it improves the model adaptation to a large number of heterogeneous tasks. It also enhances the model generalization by automatically adapting the meta model of the corresponding difficulty level to any new tasks. We demonstrate the superiority of our proposed framework over a diverse set of baselines and state-of-the-art meta-learning frameworks. Our extensive experiments on real crop yield data show the effectiveness of the proposed method in handling spatial-related heterogeneous tasks in real societal applications.

Many commodity crops have growth stages during which they are particularly vulnerable to stress-induced yield loss. In-season crop progress information is useful for quantifying crop risk, and satellite remote sensing (RS) can be used to track progress at regional scales. At present, all existing RS-based crop progress estimation (CPE) methods which target crop-specific stages rely on ground truth data for training/calibration. This reliance on ground survey data confines CPE methods to surveyed regions, limiting their utility. In this study, a new method is developed for conducting RS-based in-season CPE in unsurveyed regions by combining data from surveyed regions with synthetic crop progress data generated for an unsurveyed region. Corn-growing zones in Argentina were used as surrogate 'unsurveyed' regions. Existing weather generation, crop growth, and optical radiative transfer models were linked to produce synthetic weather, crop progress, and canopy reflectance data. A neural network (NN) method based upon bi-directional Long Short-Term Memory was trained separately on surveyed data, synthetic data, and two different combinations of surveyed and synthetic data. A stopping criterion was developed which uses the weighted divergence of surveyed and synthetic data validation loss. Net F1 scores across all crop progress stages increased by 8.7% when trained on a combination of surveyed region and synthetic data, and overall performance was only 21% lower than when the NN was trained on surveyed data and applied in the US Midwest. Performance gain from synthetic data was greatest in zones with dual planting windows, while the inclusion of surveyed region data from the US Midwest helped mitigate NN sensitivity to noise in NDVI data. Overall results suggest in-season CPE in other unsurveyed regions may be possible with increased quantity and variety of synthetic crop progress data.

Our work targets at searching feasible adversarial perturbation to attack a classifier with high-dimensional categorical inputs in a domain-agnostic setting. This is intrinsically an NP-hard knapsack problem where the exploration space becomes explosively larger as the feature dimension increases. Without the help of domain knowledge, solving this problem via heuristic method, such as Branch-and-Bound, suffers from exponential complexity, yet can bring arbitrarily bad attack results. We address the challenge via the lens of multi-armed bandit based combinatorial search. Our proposed method, namely FEAT, treats modifying each categorical feature as pulling an arm in multi-armed bandit programming. Our objective is to achieve highly efficient and effective attack using an Orthogonal Matching Pursuit (OMP)-enhanced Upper Confidence Bound (UCB) exploration strategy. Our theoretical analysis bounding the regret gap of FEAT guarantees its practical attack performance. In empirical analysis, we compare FEAT with other state-of-the-art domain-agnostic attack methods over various real-world categorical data sets of different applications. Substantial experimental observations confirm the expected efficiency and attack effectiveness of FEAT applied in different application scenarios. Our work further hints the applicability of FEAT for assessing the adversarial vulnerability of classification systems with high-dimensional categorical inputs.

Large-scale online recommendation systems must facilitate the allocation of a limited number of items among competing users while learning their preferences from user feedback. As a principled way of incorporating market constraints and user incentives in the design, we consider our objectives to be two-fold: maximal social welfare with minimal instability. To maximize social welfare, our proposed framework enhances the quality of recommendations by exploring allocations that optimistically maximize the rewards. To minimize instability, a measure of users' incentives to deviate from recommended allocations, the algorithm prices the items based on a scheme derived from the Walrasian equilibria. Though it is known that these equilibria yield stable prices for markets with known user preferences, our approach accounts for the inherent uncertainty in the preferences and further ensures that the users accept their recommendations under offered prices. To the best of our knowledge, our approach is the first to integrate techniques from combinatorial bandits, optimal resource allocation, and collaborative filtering to obtain an algorithm that achieves sub-linear social welfare regret as well as sub-linear instability. Empirical studies on synthetic and real-world data also demonstrate the efficacy of our strategy compared to approaches that do not fully incorporate all these aspects.

We present a unified probabilistic model that learns a representative set of discrete vehicle actions and predicts the probability of each action given a particular scenario. Our model also enables us to estimate the distribution over continuous trajectories conditioned on a scenario, representing what each discrete action would look like if executed in that scenario. While our primary objective is to learn representative action sets, these capabilities combine to produce accurate multimodal trajectory predictions as a byproduct. Although our learned action representations closely resemble semantically meaningful categories (e.g., "go straight", "turn left", etc.), our method is entirely self-supervised and does not utilize any manually generated labels or categories. Our method builds upon recent advances in variational inference and deep unsupervised clustering, resulting in full distribution estimates based on deterministic model evaluations.

System identification, also known as learning forward models, transfer functions, system dynamics, etc., has a long tradition both in science and engineering in different fields. Particularly, it is a recurring theme in Reinforcement Learning research, where forward models approximate the state transition function of a Markov Decision Process by learning a mapping function from current state and action to the next state. This problem is commonly defined as a Supervised Learning problem in a direct way. This common approach faces several difficulties due to the inherent complexities of the dynamics to learn, for example, delayed effects, high non-linearity, non-stationarity, partial observability and, more important, error accumulation when using bootstrapped predictions (predictions based on past predictions), over large time horizons. Here we explore the use of Reinforcement Learning in this problem. We elaborate on why and how this problem fits naturally and sound as a Reinforcement Learning problem, and present some experimental results that demonstrate RL is a promising technique to solve these kind of problems.

Deep Neural Networks (DNN) are becoming increasingly more important in assisted and automated driving. Using such entities which are obtained using machine learning is inevitable: tasks such as recognizing traffic signs cannot be developed reasonably using traditional software development methods. DNN however do have the problem that they are mostly black boxes and therefore hard to understand and debug. One particular problem is that they are prone to hidden backdoors. This means that the DNN misclassifies its input, because it considers properties that should not be decisive for the output. Backdoors may either be introduced by malicious attackers or by inappropriate training. In any case, detecting and removing them is important in the automotive area, as they might lead to safety violations with potentially severe consequences. In this paper, we introduce a novel method to remove backdoors. Our method works for both intentional as well as unintentional backdoors. We also do not require prior knowledge about the shape or distribution of backdoors. Experimental evidence shows that our method performs well on several medium-sized examples.

Owing to the prohibitive costs of generating large amounts of labeled data, programmatic weak supervision is a growing paradigm within machine learning. In this setting, users design heuristics that provide noisy labels for subsets of the data. These weak labels are combined (typically via a graphical model) to form pseudolabels, which are then used to train a downstream model. In this work, we question a foundational premise of the typical weakly supervised learning pipeline: given that the heuristic provides all ``label" information, why do we need to generate pseudolabels at all? Instead, we propose to directly transform the heuristics themselves into corresponding loss functions that penalize differences between our model and the heuristic. By constructing losses directly from the heuristics, we can incorporate more information than is used in the standard weakly supervised pipeline, such as how the heuristics make their decisions, which explicitly informs feature selection during training. We call our method Losses over Labels (LoL) as it creates losses directly from heuristics without going through the intermediate step of a label. We show that LoL improves upon existing weak supervision methods on several benchmark text and image classification tasks and further demonstrate that incorporating gradient information leads to better performance on almost every task.

We study the problem of sharing as many branching conditions of a given forest classifier or regressor as possible while keeping classification performance. As a constraint for preventing from accuracy degradation, we first consider the one that the decision paths of all the given feature vectors must not change. For a branching condition that a value of a certain feature is at most a given threshold, the set of values satisfying such constraint can be represented as an interval. Thus, the problem is reduced to the problem of finding the minimum set intersecting all the constraint-satisfying intervals for each set of branching conditions on the same feature. We propose an algorithm for the original problem using an algorithm solving this problem efficiently. The constraint is relaxed later to promote further sharing of branching conditions by allowing decision path change of a certain ratio of the given feature vectors or allowing a certain number of non-intersected constraint-satisfying intervals. We also extended our algorithm for both the relaxations. The effectiveness of our method is demonstrated through comprehensive experiments using 21 datasets (13 classification and 8 regression datasets in UCI machine learning repository) and 4 classifiers/regressors (random forest, extremely randomized trees, AdaBoost and gradient boosting).

Research connecting text and images has recently seen several breakthroughs, with models like CLIP, DALL-E 2, and Stable Diffusion. However, the connection between text and other visual modalities, such as lidar data, has received less attention, prohibited by the lack of text-lidar datasets. In this work, we propose LidarCLIP, a mapping from automotive point clouds to a pre-existing CLIP embedding space. Using image-lidar pairs, we supervise a point cloud encoder with the image CLIP embeddings, effectively relating text and lidar data with the image domain as an intermediary. We show the effectiveness of LidarCLIP by demonstrating that lidar-based retrieval is generally on par with image-based retrieval, but with complementary strengths and weaknesses. By combining image and lidar features, we improve upon both single-modality methods and enable a targeted search for challenging detection scenarios under adverse sensor conditions. We also use LidarCLIP as a tool to investigate fundamental lidar capabilities through natural language. Finally, we leverage our compatibility with CLIP to explore a range of applications, such as point cloud captioning and lidar-to-image generation, without any additional training. We hope LidarCLIP can inspire future work to dive deeper into connections between text and point cloud understanding. Code and trained models available at https://github.com/atonderski/lidarclip.

In many real-world applications of reinforcement learning (RL), performing actions requires consuming certain types of resources that are non-replenishable in each episode. Typical applications include robotic control with limited energy and video games with consumable items. In tasks with non-replenishable resources, we observe that popular RL methods such as soft actor critic suffer from poor sample efficiency. The major reason is that, they tend to exhaust resources fast and thus the subsequent exploration is severely restricted due to the absence of resources. To address this challenge, we first formalize the aforementioned problem as a resource-restricted reinforcement learning, and then propose a novel resource-aware exploration bonus (RAEB) to make reasonable usage of resources. An appealing feature of RAEB is that, it can significantly reduce unnecessary resource-consuming trials while effectively encouraging the agent to explore unvisited states. Experiments demonstrate that the proposed RAEB significantly outperforms state-of-the-art exploration strategies in resource-restricted reinforcement learning environments, improving the sample efficiency by up to an order of magnitude.

In this paper, we study the design and analysis of a class of efficient algorithms for computing the Gromov-Wasserstein (GW) distance tailored to large-scale graph learning tasks. Armed with the Luo-Tseng error bound condition~\citep{luo1992error}, two proposed algorithms, called Bregman Alternating Projected Gradient (BAPG) and hybrid Bregman Proximal Gradient (hBPG) enjoy the convergence guarantees. Upon task-specific properties, our analysis further provides novel theoretical insights to guide how to select the best-fit method. As a result, we are able to provide comprehensive experiments to validate the effectiveness of our methods on a host of tasks, including graph alignment, graph partition, and shape matching. In terms of both wall-clock time and modeling performance, the proposed methods achieve state-of-the-art results.

Learning a risk-aware policy is essential but rather challenging in unstructured robotic tasks. Safe reinforcement learning methods open up new possibilities to tackle this problem. However, the conservative policy updates make it intractable to achieve sufficient exploration and desirable performance in complex, sample-expensive environments. In this paper, we propose a dual-agent safe reinforcement learning strategy consisting of a baseline and a safe agent. Such a decoupled framework enables high flexibility, data efficiency and risk-awareness for RL-based control. Concretely, the baseline agent is responsible for maximizing rewards under standard RL settings. Thus, it is compatible with off-the-shelf training techniques of unconstrained optimization, exploration and exploitation. On the other hand, the safe agent mimics the baseline agent for policy improvement and learns to fulfill safety constraints via off-policy RL tuning. In contrast to training from scratch, safe policy correction requires significantly fewer interactions to obtain a near-optimal policy. The dual policies can be optimized synchronously via a shared replay buffer, or leveraging the pre-trained model or the non-learning-based controller as a fixed baseline agent. Experimental results show that our approach can learn feasible skills without prior knowledge as well as deriving risk-averse counterparts from pre-trained unsafe policies. The proposed method outperforms the state-of-the-art safe RL algorithms on difficult robot locomotion and manipulation tasks with respect to both safety constraint satisfaction and sample efficiency.  ( 2 min )

The increasingly crucial role of human displacements in complex societal phenomena, such as traffic congestion, segregation, and the diffusion of epidemics, is attracting the interest of scientists from several disciplines. In this article, we address mobility network generation, i.e., generating a city's entire mobility network, a weighted directed graph in which nodes are geographic locations and weighted edges represent people's movements between those locations, thus describing the entire mobility set flows within a city. Our solution is MoGAN, a model based on Generative Adversarial Networks (GANs) to generate realistic mobility networks. We conduct extensive experiments on public datasets of bike and taxi rides to show that MoGAN outperforms the classical Gravity and Radiation models regarding the realism of the generated networks. Our model can be used for data augmentation and performing simulations and what-if analysis.

Counterfactual reasoning from logged data has become increasingly important for many applications such as web advertising or healthcare. In this paper, we address the problem of learning stochastic policies with continuous actions from the viewpoint of counterfactual risk minimization (CRM). While the CRM framework is appealing and well studied for discrete actions, the continuous action case raises new challenges about modelization, optimization, and~offline model selection with real data which turns out to be particularly challenging. Our paper contributes to these three aspects of the CRM estimation pipeline. First, we introduce a modelling strategy based on a joint kernel embedding of contexts and actions, which overcomes the shortcomings of previous discretization approaches. Second, we empirically show that the optimization aspect of counterfactual learning is important, and we demonstrate the benefits of proximal point algorithms and differentiable estimators. Finally, we propose an evaluation protocol for offline policies in real-world logged systems, which is challenging since policies cannot be replayed on test data, and we release a new large-scale dataset along with multiple synthetic, yet realistic, evaluation setups.

In order to encode additional statistical information in data fusion and transfer learning applications, we introduce a generalized covariance constraint for the matching component analysis (MCA) transfer learning technique. We provide a closed-form solution to the resulting covariance-generalized optimization problem and an algorithm for its computation. We call the resulting technique -- applicable to both data fusion and transfer learning -- covariance-generalized MCA (CGMCA). We also demonstrate via numerical experiments that CGMCA is capable of meaningfully encoding into its maps more information than MCA.

Identifying anomaly multimedia traffic in cyberspace is a big challenge in distributed service systems, multiple generation networks and future internet of everything. This letter explores meta-generalization for a multiparty privacy learning model in graynet to improve the performance of anomaly multimedia traffic identification. The multiparty privacy learning model in graynet is a globally shared model that is partitioned, distributed and trained by exchanging multiparty parameters updates with preserving private data. The meta-generalization refers to discovering the inherent attributes of a learning model to reduce its generalization error. In experiments, three meta-generalization principles are tested as follows. The generalization error of the multiparty privacy learning model in graynet is reduced by changing the dimension of byte-level imbedding. Following that, the error is reduced by adapting the depth for extracting packet-level features. Finally, the error is reduced by adjusting the size of support set for preprocessing traffic-level data. Experimental results demonstrate that the proposal outperforms the state-of-the-art learning models for identifying anomaly multimedia traffic.  ( 2 min )

Decision-making module enables autonomous vehicles to reach appropriate maneuvers in the complex urban environments, especially the intersection situations. This work proposes a deep reinforcement learning (DRL) based left-turn decision-making framework at unsignalized intersection for autonomous vehicles. The objective of the studied automated vehicle is to make an efficient and safe left-turn maneuver at a four-way unsignalized intersection. The exploited DRL methods include deep Q-learning (DQL) and double DQL. Simulation results indicate that the presented decision-making strategy could efficaciously reduce the collision rate and improve transport efficiency. This work also reveals that the constructed left-turn control structure has a great potential to be applied in real-time.

There are two reasons why uncertainty about the future yield of investments may not be adequately described by Probability Theory. The first one is due to unique or nearly-unique events, that either never realized or occurred too seldom for probabilities to be reliable. The second one arises when when one fears that something may happen, that one is not even able to figure out, e.g., if one asks: "Climate change, financial crises, pandemic, war, what next?" In both cases, simple one-to-one causal mappings between available alternatives and possible consequences eventually melt down. However, such destructions reflect into the changing narratives of business executives, employees and other stakeholders in specific, identifiable and differential ways. In particular, texts such as consultants' reports or letters to shareholders can be analysed in order to detect the impact of both sorts of uncertainty onto the causal relations that normally guide decision-making. We propose structural measures of causal mappings as a means to measure non-probabilistic uncertainty, eventually suggesting that automated text analysis can greatly augment the possibilities offered by these techniques. Prospective applications may concern statistical institutes, stock market traders, as well as businesses wishing to compare their own vision to those prevailing in their industry.  ( 2 min )

With an increasing amount of data in the art world, discovering artists and artworks suitable to collectors' tastes becomes a challenge. It is no longer enough to use visual information, as contextual information about the artist has become just as important in contemporary art. In this work, we present a generic Natural Language Processing framework (called ArtLM) to discover the connections among contemporary artists based on their biographies. In this approach, we first continue to pre-train the existing general English language models with a large amount of unlabelled art-related data. We then fine-tune this new pre-trained model with our biography pair dataset manually annotated by a team of professionals in the art industry. With extensive experiments, we demonstrate that our ArtLM achieves 85.6% accuracy and 84.0% F1 score and outperforms other baseline models. We also provide a visualisation and a qualitative analysis of the artist network built from ArtLM's outputs.  ( 2 min )

Automatic Speech Recognition (ASR) for air traffic control is generally trained by pooling Air Traffic Controller (ATCO) and pilot data into one set. This is motivated by the fact that pilot's voice communications are more scarce than ATCOs. Due to this data imbalance and other reasons (e.g., varying acoustic conditions), the speech from ATCOs is usually recognized more accurately than from pilots. Automatically identifying the speaker roles is a challenging task, especially in the case of the noisy voice recordings collected using Very High Frequency (VHF) receivers or due to the unavailability of the push-to-talk (PTT) signal, i.e., both audio channels are mixed. In this work, we propose to (1) automatically segment the ATCO and pilot data based on an intuitive approach exploiting ASR transcripts and (2) subsequently consider an automatic recognition of ATCOs' and pilots' voice as two separate tasks. Our work is performed on VHF audio data with high noise levels, i.e., signal-to-noise (SNR) ratios below 15 dB, as this data is recognized to be helpful for various speech-based machine-learning tasks. Specifically, for the speaker role identification task, the module is represented by a simple yet efficient knowledge-based system exploiting a grammar defined by the International Civil Aviation Organization (ICAO). The system accepts text as the input, either manually verified annotations or automatically generated transcripts. The developed approach provides an average accuracy in speaker role identification of about 83%. Finally, we show that training an acoustic model for ASR tasks separately (i.e., separate models for ATCOs and pilots) or using a multitask approach is well suited for the noisy data and outperforms the traditional ASR system where all data is pooled together.  ( 3 min )

Morphological neurons, that is morphological operators such as dilation and erosion with learnable structuring elements, have intrigued researchers for quite some time because of the power these operators bring to the table despite their simplicity. These operators are known to be powerful nonlinear tools, but for a given problem coming up with a sequence of operations and their structuring element is a non-trivial task. So, the existing works have mainly focused on this part of the problem without delving deep into their applicability as generic operators. A few works have tried to utilize morphological neurons as a part of classification (and regression) networks when the input is a feature vector. However, these methods mainly focus on a specific problem, without going into generic theoretical analysis. In this work, we have theoretically analyzed morphological neurons and have shown that these are far more powerful than previously anticipated. Our proposed morphological block, containing dilation and erosion followed by their linear combination, represents a sum of hinge functions. Existing works show that hinge functions perform quite well in classification and regression problems. Two morphological blocks can even approximate any continuous function. However, to facilitate the theoretical analysis that we have done in this paper, we have restricted ourselves to the 1D version of the operators, where the structuring element operates on the whole input. Experimental evaluations also indicate the effectiveness of networks built with morphological neurons, over similarly structured neural networks.  ( 3 min )

Efficient detection and description of geometric regions in images is a prerequisite in visual systems for localization and mapping. Such systems still rely on traditional hand-crafted methods for efficient generation of lightweight descriptors, a common limitation of the more powerful neural network models that come with high compute and specific hardware requirements. In this paper, we focus on the adaptations required by detection and description neural networks to enable their use in computationally limited platforms such as robots, mobile, and augmented reality devices. To that end, we investigate and adapt network quantization techniques to accelerate inference and enable its use on compute limited platforms. In addition, we revisit common practices in descriptor quantization and propose the use of a binary descriptor normalization layer, enabling the generation of distinctive binary descriptors with a constant number of ones. ZippyPoint, our efficient quantized network with binary descriptors, improves the network runtime speed, the descriptor matching speed, and the 3D model size, by at least an order of magnitude when compared to full-precision counterparts. These improvements come at a minor performance degradation as evaluated on the tasks of homography estimation, visual localization, and map-free visual relocalization. Code and trained models will be released upon acceptance.  ( 2 min )

With the increased usage of AI accelerators on mobile and edge devices, on-device machine learning (ML) is gaining popularity. Thousands of proprietary ML models are being deployed today on billions of untrusted devices. This raises serious security concerns about model privacy. However, protecting model privacy without losing access to the untrusted AI accelerators is a challenging problem. In this paper, we present a novel on-device model inference system, ShadowNet. ShadowNet protects the model privacy with Trusted Execution Environment (TEE) while securely outsourcing the heavy linear layers of the model to the untrusted hardware accelerators. ShadowNet achieves this by transforming the weights of the linear layers before outsourcing them and restoring the results inside the TEE. The non-linear layers are also kept secure inside the TEE. ShadowNet's design ensures efficient transformation of the weights and the subsequent restoration of the results. We build a ShadowNet prototype based on TensorFlow Lite and evaluate it on five popular CNNs, namely, MobileNet, ResNet-44, MiniVGG, ResNet-404, and YOLOv4-tiny. Our evaluation shows that ShadowNet achieves strong security guarantees with reasonable performance, offering a practical solution for secure on-device model inference.  ( 2 min )

Adequate strategizing of agents behaviors is essential to solving cooperative MARL problems. One intuitively beneficial yet uncommon method in this domain is predicting agents future behaviors and planning accordingly. Leveraging this point, we propose a two-level hierarchical architecture that combines a novel information-theoretic objective with a trajectory prediction model to learn a strategy. To this end, we introduce a latent policy that learns two types of latent strategies: individual $z_A$, and relational $z_R$ using a modified Graph Attention Network module to extract interaction features. We encourage each agent to behave according to the strategy by conditioning its local $Q$ functions on $z_A$, and we further equip agents with a shared $Q$ function that conditions on $z_R$. Additionally, we introduce two regularizers to allow predicted trajectories to be accurate and rewarding. Empirical results on Google Research Football (GRF) and StarCraft (SC) II micromanagement tasks show that our method establishes a new state of the art being, to the best of our knowledge, the first MARL algorithm to solve all super hard SC II scenarios as well as the GRF full game with a win rate higher than $95\%$, thus outperforming all existing methods. Videos and brief overview of the methods and results are available at: https://sites.google.com/view/hier-strats-marl/home.  ( 2 min )

For robots to be generally useful, they must be able to find arbitrary objects described by people (i.e., be language-driven) even without expensive navigation training on in-domain data (i.e., perform zero-shot inference). We explore these capabilities in a unified setting: language-driven zero-shot object navigation (L-ZSON). Inspired by the recent success of open-vocabulary models for image classification, we investigate a straightforward framework, CLIP on Wheels (CoW), to adapt open-vocabulary models to this task without fine-tuning. To better evaluate L-ZSON, we introduce the Pasture benchmark, which considers finding uncommon objects, objects described by spatial and appearance attributes, and hidden objects described relative to visible objects. We conduct an in-depth empirical study by directly deploying 21 CoW baselines across Habitat, RoboTHOR, and Pasture. In total, we evaluate over 90k navigation episodes and find that (1) CoW baselines often struggle to leverage language descriptions, but are proficient at finding uncommon objects. (2) A simple CoW, with CLIP-based object localization and classical exploration -- and no additional training -- matches the navigation efficiency of a state-of-the-art ZSON method trained for 500M steps on Habitat MP3D data. This same CoW provides a 15.6 percentage point improvement in success over a state-of-the-art RoboTHOR ZSON model.  ( 2 min )

Deep Generative Models (DGMs) are a popular class of deep learning models which find widespread use because of their ability to synthesize data from complex, high-dimensional manifolds. However, even with their increasing industrial adoption, they haven't been subject to rigorous security and privacy analysis. In this work we examine one such aspect, namely backdoor attacks on DGMs which can significantly limit the applicability of pre-trained models within a model supply chain and at the very least cause massive reputation damage for companies outsourcing DGMs form third parties. While similar attacks scenarios have been studied in the context of classical prediction models, their manifestation in DGMs hasn't received the same attention. To this end we propose novel training-time attacks which result in corrupted DGMs that synthesize regular data under normal operations and designated target outputs for inputs sampled from a trigger distribution. These attacks are based on an adversarial loss function that combines the dual objectives of attack stealth and fidelity. We systematically analyze these attacks, and show their effectiveness for a variety of approaches like Generative Adversarial Networks (GANs) and Variational Autoencoders (VAEs), as well as different data domains including images and audio. Our experiments show that - even for large-scale industry-grade DGMs (like StyleGAN) - our attacks can be mounted with only modest computational effort. We also motivate suitable defenses based on static/dynamic model and output inspections, demonstrate their usefulness, and prescribe a practical and comprehensive defense strategy that paves the way for safe usage of DGMs.  ( 2 min )

As machine learning algorithms start to get integrated into the decision-making process of companies and organizations, insurance products are being developed to protect their owners from liability risk. Algorithmic liability differs from human liability since it is based on a single model compared to multiple heterogeneous decision-makers and its performance is known a priori for a given set of data. Traditional actuarial tools for human liability do not take these properties into consideration, primarily focusing on the distribution of historical claims. We propose, for the first time, a quantitative framework to estimate the risk exposure of insurance contracts for machine-driven liability, introducing the concept of algorithmic insurance. Specifically, we present an optimization formulation to estimate the risk exposure of a binary classification model given a pre-defined range of premiums. We adjust the formulation to account for uncertainty in the resulting losses using robust optimization. Our approach outlines how properties of the model, such as accuracy, interpretability, and generalizability, can influence the insurance contract evaluation. To showcase a practical implementation of the proposed framework, we present a case study of medical malpractice in the context of breast cancer detection. Our analysis focuses on measuring the effect of the model parameters on the expected financial loss and identifying the aspects of algorithmic performance that predominantly affect the risk of the contract.  ( 2 min )

Interacting particle or agent systems that display a rich variety of swarming behaviours are ubiquitous in science and engineering. A fundamental and challenging goal is to understand the link between individual interaction rules and swarming. In this paper, we study the data-driven discovery of a second-order particle swarming model that describes the evolution of $N$ particles in $\mathbb{R}^d$ under radial interactions. We propose a learning approach that models the latent radial interaction function as Gaussian processes, which can simultaneously fulfill two inference goals: one is the nonparametric inference of {the} interaction function with pointwise uncertainty quantification, and the other one is the inference of unknown scalar parameters in the non-collective friction forces of the system. We formulate the learning problem as a statistical inverse problem and provide a detailed analysis of recoverability conditions, establishing that a coercivity condition is sufficient for recoverability. Given data collected from $M$ i.i.d trajectories with independent Gaussian observational noise, we provide a finite-sample analysis, showing that our posterior mean estimator converges in a Reproducing kernel Hilbert space norm, at an optimal rate in $M$ equal to the one in the classical 1-dimensional Kernel Ridge regression. As a byproduct, we show we can obtain a parametric learning rate in $M$ for the posterior marginal variance using $L^{\infty}$ norm, and the rate could also involve $N$ and $L$ (the number of observation time instances for each trajectory), depending on the condition number of the inverse problem. Numerical results on systems that exhibit different swarming behaviors demonstrate efficient learning of our approach from scarce noisy trajectory data.  ( 2 min )

Discriminative features extracted from the sparse coding model have been shown to perform well for classification. Recent deep learning architectures have further improved reconstruction in inverse problems by considering new dense priors learned from data. We propose a novel dense and sparse coding model that integrates both representation capability and discriminative features. The model studies the problem of recovering a dense vector $\mathbf{x}$ and a sparse vector $\mathbf{u}$ given measurements of the form $\mathbf{y} = \mathbf{A}\mathbf{x}+\mathbf{B}\mathbf{u}$. Our first analysis proposes a geometric condition based on the minimal angle between spanning subspaces corresponding to the matrices $\mathbf{A}$ and $\mathbf{B}$ that guarantees unique solution to the model. The second analysis shows that, under mild assumptions, a convex program recovers the dense and sparse components. We validate the effectiveness of the model on simulated data and propose a dense and sparse autoencoder (DenSaE) tailored to learning the dictionaries from the dense and sparse model. We demonstrate that (i) DenSaE denoises natural images better than architectures derived from the sparse coding model ($\mathbf{B}\mathbf{u}$), (ii) in the presence of noise, training the biases in the latter amounts to implicitly learning the $\mathbf{A}\mathbf{x} + \mathbf{B}\mathbf{u}$ model, (iii) $\mathbf{A}$ and $\mathbf{B}$ capture low- and high-frequency contents, respectively, and (iv) compared to the sparse coding model, DenSaE offers a balance between discriminative power and representation.  ( 2 min )

We propose an approach for semantic imitation, which uses demonstrations from a source domain, e.g. human videos, to accelerate reinforcement learning (RL) in a different target domain, e.g. a robotic manipulator in a simulated kitchen. Instead of imitating low-level actions like joint velocities, our approach imitates the sequence of demonstrated semantic skills like "opening the microwave" or "turning on the stove". This allows us to transfer demonstrations across environments (e.g. real-world to simulated kitchen) and agent embodiments (e.g. bimanual human demonstration to robotic arm). We evaluate on three challenging cross-domain learning problems and match the performance of demonstration-accelerated RL approaches that require in-domain demonstrations. In a simulated kitchen environment, our approach learns long-horizon robot manipulation tasks, using less than 3 minutes of human video demonstrations from a real-world kitchen. This enables scaling robot learning via the reuse of demonstrations, e.g. collected as human videos, for learning in any number of target domains.  ( 2 min )

The integration of data and knowledge from several sources is known as data fusion. When data is available in a distributed fashion or when different sensors are used to infer a quantity of interest, data fusion becomes essential. In Bayesian settings, a priori information of the unknown quantities is available and, possibly, shared among the distributed estimators. When the local estimates are fused, such prior might be overused unless it is accounted for. This paper explores the effects of shared priors in Bayesian data fusion contexts, providing fusion rules and analysis to understand the performance of such fusion as a function of the number of collaborative agents and the uncertainty of the priors. Analytical results are corroborated through experiments in a variety of estimation and classification problems.  ( 2 min )

Although a vast body of literature relates to image segmentation methods that use deep neural networks (DNNs), less attention has been paid to assessing the statistical reliability of segmentation results. In this study, we interpret the segmentation results as hypotheses driven by DNN (called DNN-driven hypotheses) and propose a method by which to quantify the reliability of these hypotheses within a statistical hypothesis testing framework. Specifically, we consider a statistical hypothesis test for the difference between the object and background regions. This problem is challenging, as the difference would be falsely large because of the adaptation of the DNN to the data. To overcome this difficulty, we introduce a conditional selective inference (SI) framework -- a new statistical inference framework for data-driven hypotheses that has recently received considerable attention -- to compute exact (non-asymptotic) valid p-values for the segmentation results. To use the conditional SI framework for DNN-based segmentation, we develop a new SI algorithm based on the homotopy method, which enables us to derive the exact (non-asymptotic) sampling distribution of DNN-driven hypothesis. We conduct experiments on both synthetic and real-world datasets, through which we offer evidence that our proposed method can successfully control the false positive rate, has good performance in terms of computational efficiency, and provides good results when applied to medical image data.  ( 2 min )

Independence testing is a fundamental and classical statistical problem that has been extensively studied in the batch setting when one fixes the sample size before collecting data. However, practitioners often prefer procedures that adapt to the complexity of a problem at hand instead of setting sample size in advance. Ideally, such procedures should (a) allow stopping earlier on easy tasks (and later on harder tasks), hence making better use of available resources, and (b) continuously monitor the data and efficiently incorporate statistical evidence after collecting new data, while controlling the false alarm rate. It is well known that classical batch tests are not tailored for streaming data settings, since valid inference after data peeking requires correcting for multiple testing, but such corrections generally result in low power. In this paper, we design sequential kernelized independence tests (SKITs) that overcome such shortcomings based on the principle of testing by betting. We exemplify our broad framework using bets inspired by kernelized dependence measures such as the Hilbert-Schmidt independence criterion (HSIC) and the constrained-covariance criterion (COCO). Importantly, we also generalize the framework to non-i.i.d. time-varying settings, for which there exist no batch tests. We demonstrate the power of our approaches on both simulated and real data.  ( 2 min )

The error Backpropagation algorithm (BP) is a key method for training deep neural networks. While performant, it is also resource-demanding in terms of computation, memory usage and energy. This makes it unsuitable for online learning on edge devices that require a high processing rate and low energy consumption. More importantly, BP does not take advantage of the parallelism and local characteristics offered by dedicated neural processors. There is therefore a demand for alternative algorithms to BP that could improve the latency, memory requirements, and energy footprint of neural networks on hardware. In this work, we propose a novel method based on Direct Feedback Alignment (DFA) which uses Forward-Mode Automatic Differentiation to estimate backpropagation paths and learn feedback connections in an online manner. We experimentally show that Directional DFA achieves performances that are closer to BP than other feedback methods on several benchmark datasets and architectures while benefiting from the locality and parallelization characteristics of DFA. Moreover, we show that, unlike other feedback learning algorithms, our method provides stable learning for convolution layers.  ( 2 min )

Recent progress on vision-language foundation models have brought significant advancement to building general-purpose robots. By using the pre-trained models to encode the scene and instructions as inputs for decision making, the instruction-conditioned policy can generalize across different objects and tasks. While this is encouraging, the policy still fails in most cases given an unseen task or environment. To adapt the policy to unseen tasks and environments, we explore a new paradigm on leveraging the pre-trained foundation models with Self-PLAY and Self-Describe (SPLAYD). When deploying the trained policy to a new task or a new environment, we first let the policy self-play with randomly generated instructions to record the demonstrations. While the execution could be wrong, we can use the pre-trained foundation models to accurately self-describe (i.e., re-label or classify) the demonstrations. This automatically provides new pairs of demonstration-instruction data for policy fine-tuning. We evaluate our method on a broad range of experiments with the focus on generalization on unseen objects, unseen tasks, unseen environments, and sim-to-real transfer. We show SPLAYD improves baselines by a large margin in all cases. Our project page is available at https://geyuying.github.io/SPLAYD/  ( 2 min )

This work builds on the models and concepts presented in part 1 to learn approximate dictionary representations of Koopman operators from data. Part I of this paper presented a methodology for arguing the subspace invariance of a Koopman dictionary. This methodology was demonstrated on the state-inclusive logistic lifting (SILL) basis. This is an affine basis augmented with conjunctive logistic functions. The SILL dictionary's nonlinear functions are homogeneous, a norm in data-driven dictionary learning of Koopman operators. In this paper, we discover that structured mixing of heterogeneous dictionary functions drawn from different classes of nonlinear functions achieve the same accuracy and dimensional scaling as the deep-learning-based deepDMD algorithm. We specifically show this by building a heterogeneous dictionary comprised of SILL functions and conjunctive radial basis functions (RBFs). This mixed dictionary achieves the same accuracy and dimensional scaling as deepDMD with an order of magnitude reduction in parameters, while maintaining geometric interpretability. These results strengthen the viability of dictionary-based Koopman models to solving high-dimensional nonlinear learning problems.

There has been significant work recently in developing machine learning models in high energy physics (HEP), for tasks such as classification, simulation, and anomaly detection. Typically, these models are adapted from those designed for datasets in computer vision or natural language processing without necessarily incorporating inductive biases suited to HEP data, such as respecting its inherent symmetries. Such inductive biases can make the model more performant and interpretable, and reduce the amount of training data needed. To that end, we develop the Lorentz group autoencoder (LGAE), an autoencoder model equivariant with respect to the proper, orthochronous Lorentz group $\mathrm{SO}^+(3,1)$, with a latent space living in the representations of the group. We present our architecture and several experimental results on jets at the LHC and find it significantly outperforms a non-Lorentz-equivariant graph neural network baseline on compression and reconstruction, and anomaly detection. We also demonstrate the advantage of such an equivariant model in analyzing the latent space of the autoencoder, which can have a significant impact on the explainability of anomalies found by such black-box machine learning models.

Explainability of Graph Neural Networks (GNNs) is critical to various GNN applications but remains an open challenge. A convincing explanation should be both necessary and sufficient simultaneously. However, existing GNN explaining approaches focus on only one of the two aspects, necessity or sufficiency, or a trade-off between the two. To search for the most necessary and sufficient explanation, the Probability of Necessity and Sufficiency (PNS) can be applied since it can mathematically quantify the necessity and sufficiency of an explanation. Nevertheless, the difficulty of obtaining PNS due to non-monotonicity and the challenge of counterfactual estimation limits its wide use. To address the non-identifiability of PNS, we resort to a lower bound of PNS that can be optimized via counterfactual estimation, and propose Necessary and Sufficient Explanation for GNN (NSEG) via optimizing that lower bound. Specifically, we employ nearest neighbor matching to generate counterfactual samples for the features, which is different from the random perturbation. In particular, NSEG combines the edges and node features to generate an explanation, where the common edge explanation is a special case of the combined explanation. Empirical study shows that NSEG achieves excellent performance in generating the most necessary and sufficient explanations among a series of state-of-the-art methods.

Federated Learning (FL) has become a key choice for distributed machine learning. Initially focused on centralized aggregation, recent works in FL have emphasized greater decentralization to adapt to the highly heterogeneous network edge. Among these, Hierarchical, Device-to-Device and Gossip Federated Learning (HFL, D2DFL \& GFL respectively) can be considered as foundational FL algorithms employing fundamental aggregation strategies. A number of FL algorithms were subsequently proposed employing multiple fundamental aggregation schemes jointly. Existing research, however, subjects the FL algorithms to varied conditions and gauges the performance of these algorithms mainly against Federated Averaging (FedAvg) only. This work consolidates the FL landscape and offers an objective analysis of the major FL algorithms through a comprehensive cross-evaluation for a wide range of operating conditions. In addition to the three foundational FL algorithms, this work also analyzes six derived algorithms. To enable a uniform assessment, a multi-FL framework named FLAGS: Federated Learning AlGorithms Simulation has been developed for rapid configuration of multiple FL algorithms. Our experiments indicate that fully decentralized FL algorithms achieve comparable accuracy under multiple operating conditions, including asynchronous aggregation and the presence of stragglers. Furthermore, decentralized FL can also operate in noisy environments and with a comparably higher local update rate. However, the impact of extremely skewed data distributions on decentralized FL is much more adverse than on centralized variants. The results indicate that it may not be necessary to restrict the devices to a single FL algorithm; rather, multi-FL nodes may operate with greater efficiency.

The statistical heterogeneity of the non-independent and identically distributed (non-IID) data in local clients significantly limits the performance of federated learning. Previous attempts like FedProx, SCAFFOLD, MOON, FedNova and FedDyn resort to an optimization perspective, which requires an auxiliary term or re-weights local updates to calibrate the learning bias or the objective inconsistency. However, in addition to previous explorations for improvement in federated averaging, our analysis shows that another critical bottleneck is the poorer optima of client models in more heterogeneous conditions. We thus introduce a data-driven approach called FedSkip to improve the client optima by periodically skipping federated averaging and scattering local models to the cross devices. We provide theoretical analysis of the possible benefit from FedSkip and conduct extensive experiments on a range of datasets to demonstrate that FedSkip achieves much higher accuracy, better aggregation efficiency and competing communication efficiency. Source code is available at: https://github.com/MediaBrain-SJTU/FedSkip.

Deep learning (DL) has become a driving force and has been widely adopted in many domains and applications with competitive performance. In practice, to solve the nontrivial and complicated tasks in real-world applications, DL is often not used standalone, but instead contributes as a piece of gadget of a larger complex AI system. Although there comes a fast increasing trend to study the quality issues of deep neural networks (DNNs) at the model level, few studies have been performed to investigate the quality of DNNs at both the unit level and the potential impacts on the system level. More importantly, it also lacks systematic investigation on how to perform the risk assessment for AI systems from unit level to system level. To bridge this gap, this paper initiates an early exploratory study of AI system risk assessment from both the data distribution and uncertainty angles to address these issues. We propose a general framework with an exploratory study for analyzing AI systems. After large-scale (700+ experimental configurations and 5000+ GPU hours) experiments and in-depth investigations, we reached a few key interesting findings that highlight the practical need and opportunities for more in-depth investigations into AI systems.

A current goal in the graph neural network literature is to enable transformers to operate on graph-structured data, given their success on language and vision tasks. Since the transformer's original sinusoidal positional encodings (PEs) are not applicable to graphs, recent work has focused on developing graph PEs, rooted in spectral graph theory or various spatial features of a graph. In this work, we introduce a new graph PE, Graph Automaton PE (GAPE), based on weighted graph-walking automata (a novel extension of graph-walking automata). We compare the performance of GAPE with other PE schemes on both machine translation and graph-structured tasks, and we show that it generalizes several other PEs. An additional contribution of this study is a theoretical and controlled experimental comparison of many recent PEs in graph transformers, independent of the use of edge features.

Metaverse over wireless networks is an emerging use case of the sixth generation (6G) wireless systems, posing unprecedented challenges in terms of its multi-modal data transmissions with stringent latency and reliability requirements. Towards enabling this wireless metaverse, in this article we propose a novel semantic communication (SC) framework by decomposing the metaverse into human/machine agent-specific semantic multiverses (SMs). An SM stored at each agent comprises a semantic encoder and a generator, leveraging recent advances in generative artificial intelligence (AI). To improve communication efficiency, the encoder learns the semantic representations (SRs) of multi-modal data, while the generator learns how to manipulate them for locally rendering scenes and interactions in the metaverse. Since these learned SMs are biased towards local environments, their success hinges on synchronizing heterogeneous SMs in the background while communicating SRs in the foreground, turning the wireless metaverse problem into the problem of semantic multiverse communication (SMC). Based on this SMC architecture, we propose several promising algorithmic and analytic tools for modeling and designing SMC, ranging from distributed learning and multi-agent reinforcement learning (MARL) to signaling games and symbolic AI.

There exists unexplained diverse variation within the predefined colon cancer stages using only features either from genomics or histopathological whole slide images as prognostic factors. Unraveling this variation will bring about improved in staging and treatment outcome, hence motivated by the advancement of Deep Neural Network libraries and different structures and factors within some genomic dataset, we aggregate atypical patterns in histopathological images with diverse carcinogenic expression from mRNA, miRNA and DNA Methylation as an integrative input source into an ensemble deep neural network for colon cancer stages classification and samples stratification into low or high risk survival groups. The results of our Ensemble Deep Convolutional Neural Network model show an improved performance in stages classification on the integrated dataset. The fused input features return Area under curve Receiver Operating Characteristic curve (AUC ROC) of 0.95 compared with AUC ROC of 0.71 and 0.68 obtained when only genomics and images features are used for the stage's classification, respectively. Also, the extracted features were used to split the patients into low or high risk survival groups. Among the 2548 fused features, 1695 features showed a statistically significant survival probability differences between the two risk groups defined by the extracted features.

The paper addresses the problem of time offset synchronization in the presence of temperature variations, which lead to a non-Gaussian environment. In this context, regular Kalman filtering reveals to be suboptimal. A functional optimization approach is developed in order to approximate optimal estimation of the clock offset between master and slave. A numerical approximation is provided to this aim, based on regular neural network training. Other heuristics are provided as well, based on spline regression. An extensive performance evaluation highlights the benefits of the proposed techniques, which can be easily generalized to several clock synchronization protocols and operating environments.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

The aim of this paper is to establish causal relationship between ride-sharing platform's policies and outcomes of interest under complex temporal and/or spatial dependent experiments. We propose a temporal/spatio-temporal varying coefficient decision process (VCDP) model to capture the dynamic treatment effects in temporal/spatio-temporal dependent experiments. We characterize the average treatment effect by decomposing it as the sum of direct effect (DE) and indirect effect (IE) and develop estimation and inference procedures for both DE and IE. We also establish the statistical properties (e.g., weak convergence and asymptotic power) of our models. We conduct extensive simulations and real data analyses to verify the usefulness of the proposed method.

Multi-task learning (MTL) is a learning paradigm to learn multiple related tasks simultaneously with a single shared network where each task has a distinct personalized header network for fine-tuning. MTL can be integrated into a federated learning (FL) setting if tasks are distributed across clients and clients have a single shared network, leading to personalized federated learning (PFL). To cope with statistical heterogeneity in the federated setting across clients which can significantly degrade the learning performance, we use a distributed dynamic weighting approach. To perform the communication between the remote parameter server (PS) and the clients efficiently over the noisy channel in a power and bandwidth-limited regime, we utilize over-the-air (OTA) aggregation and hierarchical federated learning (HFL). Thus, we propose hierarchical over-the-air (HOTA) PFL with a dynamic weighting strategy which we call HOTA-FedGradNorm. Our algorithm considers the channel conditions during the dynamic weight selection process. We conduct experiments on a wireless communication system dataset (RadComDynamic). The experimental results demonstrate that the training speed with HOTA-FedGradNorm is faster compared to the algorithms with a naive static equal weighting strategy. In addition, HOTA-FedGradNorm provides robustness against the negative channel effects by compensating for the channel conditions during the dynamic weight selection process.

Although a vast body of literature relates to image segmentation methods that use deep neural networks (DNNs), less attention has been paid to assessing the statistical reliability of segmentation results. In this study, we interpret the segmentation results as hypotheses driven by DNN (called DNN-driven hypotheses) and propose a method by which to quantify the reliability of these hypotheses within a statistical hypothesis testing framework. Specifically, we consider a statistical hypothesis test for the difference between the object and background regions. This problem is challenging, as the difference would be falsely large because of the adaptation of the DNN to the data. To overcome this difficulty, we introduce a conditional selective inference (SI) framework -- a new statistical inference framework for data-driven hypotheses that has recently received considerable attention -- to compute exact (non-asymptotic) valid p-values for the segmentation results. To use the conditional SI framework for DNN-based segmentation, we develop a new SI algorithm based on the homotopy method, which enables us to derive the exact (non-asymptotic) sampling distribution of DNN-driven hypothesis. We conduct experiments on both synthetic and real-world datasets, through which we offer evidence that our proposed method can successfully control the false positive rate, has good performance in terms of computational efficiency, and provides good results when applied to medical image data.

The circular coordinates algorithm of de Silva, Morozov, and Vejdemo-Johansson takes as input a dataset together with a cohomology class representing a $1$-dimensional hole in the data; the output is a map from the data into the circle that captures this hole, and that is of minimum energy in a suitable sense. However, when applied to several cohomology classes, the output circle-valued maps can be "geometrically correlated" even if the chosen cohomology classes are linearly independent. It is shown in the original work that less correlated maps can be obtained with suitable integer linear combinations of the cohomology classes, with the linear combinations being chosen by inspection. In this paper, we identify a formal notion of geometric correlation between circle-valued maps which, in the Riemannian manifold case, corresponds to the Dirichlet form, a bilinear form derived from the Dirichlet energy. We describe a systematic procedure for constructing low energy torus-valued maps on data, starting from a set of linearly independent cohomology classes. We showcase our procedure with computational examples. Our main algorithm is based on the Lenstra--Lenstra--Lov\'asz algorithm from computational number theory.

Training a neural network requires choosing a suitable learning rate, involving a trade-off between speed and effectiveness of convergence. While there has been considerable theoretical and empirical analysis of how large the learning rate can be, most prior work focuses only on late-stage training. In this work, we introduce the maximal initial learning rate $\eta^{\ast}$ - the largest learning rate at which a randomly initialized neural network can successfully begin training and achieve (at least) a given threshold accuracy. Using a simple approach to estimate $\eta^{\ast}$, we observe that in constant-width fully-connected ReLU networks, $\eta^{\ast}$ demonstrates different behavior to the maximum learning rate later in training. Specifically, we find that $\eta^{\ast}$ is well predicted as a power of $(\text{depth} \times \text{width})$, provided that (i) the width of the network is sufficiently large compared to the depth, and (ii) the input layer of the network is trained at a relatively small learning rate. We further analyze the relationship between $\eta^{\ast}$ and the sharpness $\lambda_{1}$ of the network at initialization, indicating that they are closely though not inversely related. We formally prove bounds for $\lambda_{1}$ in terms of $(\text{depth} \times \text{width})$ that align with our empirical results.

Independence testing is a fundamental and classical statistical problem that has been extensively studied in the batch setting when one fixes the sample size before collecting data. However, practitioners often prefer procedures that adapt to the complexity of a problem at hand instead of setting sample size in advance. Ideally, such procedures should (a) allow stopping earlier on easy tasks (and later on harder tasks), hence making better use of available resources, and (b) continuously monitor the data and efficiently incorporate statistical evidence after collecting new data, while controlling the false alarm rate. It is well known that classical batch tests are not tailored for streaming data settings, since valid inference after data peeking requires correcting for multiple testing, but such corrections generally result in low power. In this paper, we design sequential kernelized independence tests (SKITs) that overcome such shortcomings based on the principle of testing by betting. We exemplify our broad framework using bets inspired by kernelized dependence measures such as the Hilbert-Schmidt independence criterion (HSIC) and the constrained-covariance criterion (COCO). Importantly, we also generalize the framework to non-i.i.d. time-varying settings, for which there exist no batch tests. We demonstrate the power of our approaches on both simulated and real data.

Offline reinforcement learning (RL) leverages previously collected data for policy optimization without any further active exploration. Despite the recent interest in this problem, its theoretical results in neural network function approximation settings remain elusive. In this paper, we study the statistical theory of offline RL with deep ReLU network function approximation. In particular, we establish the sample complexity of $n = \tilde{\mathcal{O}}( H^{4 + 4 \frac{d}{\alpha}} \kappa_{\mu}^{1 + \frac{d}{\alpha}} \epsilon^{-2 - 2\frac{d}{\alpha}} )$ for offline RL with deep ReLU networks, where $\kappa_{\mu}$ is a measure of distributional shift, {$H = (1-\gamma)^{-1}$ is the effective horizon length}, $d$ is the dimension of the state-action space, $\alpha$ is a (possibly fractional) smoothness parameter of the underlying Markov decision process (MDP), and $\epsilon$ is a user-specified error. Notably, our sample complexity holds under two novel considerations: the Besov dynamic closure and the correlated structure. While the Besov dynamic closure subsumes the dynamic conditions for offline RL in the prior works, the correlated structure renders the prior works of offline RL with general/neural network function approximation improper or inefficient {in long (effective) horizon problems}. To the best of our knowledge, this is the first theoretical characterization of the sample complexity of offline RL with deep neural network function approximation under the general Besov regularity condition that goes beyond {the linearity regime} in the traditional Reproducing Hilbert kernel spaces and Neural Tangent Kernels.

A common approach to modeling networks assigns each node to a position on a low-dimensional manifold where distance is inversely proportional to connection likelihood. More positive manifold curvature encourages more and tighter communities; negative curvature induces repulsion. We consistently estimate manifold type, dimension, and curvature from simply connected, complete Riemannian manifolds of constant curvature. We represent the graph as a noisy distance matrix based on the ties between cliques, then develop hypothesis tests to determine whether the observed distances could plausibly be embedded isometrically in each of the candidate geometries. We apply our approach to data-sets from economics and neuroscience.

Consider two forecasters, each making a single prediction for a sequence of events over time. We ask a relatively basic question: how might we compare these forecasters, either online or post-hoc, while avoiding unverifiable assumptions on how the forecasts and outcomes were generated? In this paper, we present a rigorous answer to this question by designing novel sequential inference procedures for estimating the time-varying difference in forecast scores. To do this, we employ confidence sequences (CS), which are sequences of confidence intervals that can be continuously monitored and are valid at arbitrary data-dependent stopping times ("anytime-valid"). The widths of our CSs are adaptive to the underlying variance of the score differences. Underlying their construction is a game-theoretic statistical framework, in which we further identify e-processes and p-processes for sequentially testing a weak null hypothesis -- whether one forecaster outperforms another on average (rather than always). Our methods do not make distributional assumptions on the forecasts or outcomes; our main theorems apply to any bounded scores, and we later provide alternative methods for unbounded scores. We empirically validate our approaches by comparing real-world baseball and weather forecasters.  ( 2 min )

The integration of data and knowledge from several sources is known as data fusion. When data is available in a distributed fashion or when different sensors are used to infer a quantity of interest, data fusion becomes essential. In Bayesian settings, a priori information of the unknown quantities is available and, possibly, shared among the distributed estimators. When the local estimates are fused, such prior might be overused unless it is accounted for. This paper explores the effects of shared priors in Bayesian data fusion contexts, providing fusion rules and analysis to understand the performance of such fusion as a function of the number of collaborative agents and the uncertainty of the priors. Analytical results are corroborated through experiments in a variety of estimation and classification problems.  ( 2 min )

Morphological neurons, that is morphological operators such as dilation and erosion with learnable structuring elements, have intrigued researchers for quite some time because of the power these operators bring to the table despite their simplicity. These operators are known to be powerful nonlinear tools, but for a given problem coming up with a sequence of operations and their structuring element is a non-trivial task. So, the existing works have mainly focused on this part of the problem without delving deep into their applicability as generic operators. A few works have tried to utilize morphological neurons as a part of classification (and regression) networks when the input is a feature vector. However, these methods mainly focus on a specific problem, without going into generic theoretical analysis. In this work, we have theoretically analyzed morphological neurons and have shown that these are far more powerful than previously anticipated. Our proposed morphological block, containing dilation and erosion followed by their linear combination, represents a sum of hinge functions. Existing works show that hinge functions perform quite well in classification and regression problems. Two morphological blocks can even approximate any continuous function. However, to facilitate the theoretical analysis that we have done in this paper, we have restricted ourselves to the 1D version of the operators, where the structuring element operates on the whole input. Experimental evaluations also indicate the effectiveness of networks built with morphological neurons, over similarly structured neural networks.  ( 3 min )

Counterfactual reasoning from logged data has become increasingly important for many applications such as web advertising or healthcare. In this paper, we address the problem of learning stochastic policies with continuous actions from the viewpoint of counterfactual risk minimization (CRM). While the CRM framework is appealing and well studied for discrete actions, the continuous action case raises new challenges about modelization, optimization, and~offline model selection with real data which turns out to be particularly challenging. Our paper contributes to these three aspects of the CRM estimation pipeline. First, we introduce a modelling strategy based on a joint kernel embedding of contexts and actions, which overcomes the shortcomings of previous discretization approaches. Second, we empirically show that the optimization aspect of counterfactual learning is important, and we demonstrate the benefits of proximal point algorithms and differentiable estimators. Finally, we propose an evaluation protocol for offline policies in real-world logged systems, which is challenging since policies cannot be replayed on test data, and we release a new large-scale dataset along with multiple synthetic, yet realistic, evaluation setups.  ( 2 min )

We present a methodology for integrating functional data into deep densely connected feed-forward neural networks. The model is defined for scalar responses with multiple functional and scalar covariates. A by-product of the method is a set of dynamic functional weights that can be visualized during the optimization process. This visualization leads to greater interpretability of the relationship between the covariates and the response relative to conventional neural networks. The model is shown to perform well in a number of contexts including prediction of new data and recovery of the true underlying functional weights; these results were confirmed through real applications and simulation studies. A forthcoming R package is developed on top of a popular deep learning library (Keras) allowing for general use of the approach.  ( 2 min )

As machine learning algorithms start to get integrated into the decision-making process of companies and organizations, insurance products are being developed to protect their owners from liability risk. Algorithmic liability differs from human liability since it is based on a single model compared to multiple heterogeneous decision-makers and its performance is known a priori for a given set of data. Traditional actuarial tools for human liability do not take these properties into consideration, primarily focusing on the distribution of historical claims. We propose, for the first time, a quantitative framework to estimate the risk exposure of insurance contracts for machine-driven liability, introducing the concept of algorithmic insurance. Specifically, we present an optimization formulation to estimate the risk exposure of a binary classification model given a pre-defined range of premiums. We adjust the formulation to account for uncertainty in the resulting losses using robust optimization. Our approach outlines how properties of the model, such as accuracy, interpretability, and generalizability, can influence the insurance contract evaluation. To showcase a practical implementation of the proposed framework, we present a case study of medical malpractice in the context of breast cancer detection. Our analysis focuses on measuring the effect of the model parameters on the expected financial loss and identifying the aspects of algorithmic performance that predominantly affect the risk of the contract.  ( 2 min )

Over the last few years, research in automatic sleep scoring has mainly focused on developing increasingly complex deep learning architectures. However, recently these approaches achieved only marginal improvements, often at the expense of requiring more data and more expensive training procedures. Despite all these efforts and their satisfactory performance, automatic sleep staging solutions are not widely adopted in a clinical context yet. We argue that most deep learning solutions for sleep scoring are limited in their real-world applicability as they are hard to train, deploy, and reproduce. Moreover, these solutions lack interpretability and transparency, which are often key to increase adoption rates. In this work, we revisit the problem of sleep stage classification using classical machine learning. Results show that competitive performance can be achieved with a conventional machine learning pipeline consisting of preprocessing, feature extraction, and a simple machine learning model. In particular, we analyze the performance of a linear model and a non-linear (gradient boosting) model. Our approach surpasses state-of-the-art (that uses the same data) on two public datasets: Sleep-EDF SC-20 (MF1 0.810) and Sleep-EDF ST (MF1 0.795), while achieving competitive results on Sleep-EDF SC-78 (MF1 0.775) and MASS SS3 (MF1 0.817). We show that, for the sleep stage scoring task, the expressiveness of an engineered feature vector is on par with the internally learned representations of deep learning models. This observation opens the door to clinical adoption, as a representative feature vector allows to leverage both the interpretability and successful track record of traditional machine learning models.  ( 3 min )

Tensor decomposition serves as a powerful primitive in statistics and machine learning. In this paper, we focus on using power iteration to decompose an overcomplete random tensor. Past work studying the properties of tensor power iteration either requires a non-trivial data-independent initialization, or is restricted to the undercomplete regime. Moreover, several papers implicitly suggest that logarithmically many iterations (in terms of the input dimension) are sufficient for the power method to recover one of the tensor components. In this paper, we analyze the dynamics of tensor power iteration from random initialization in the overcomplete regime. Surprisingly, we show that polynomially many steps are necessary for convergence of tensor power iteration to any of the true component, which refutes the previous conjecture. On the other hand, our numerical experiments suggest that tensor power iteration successfully recovers tensor components for a broad range of parameters, despite that it takes at least polynomially many steps to converge. To further complement our empirical evidence, we prove that a popular objective function for tensor decomposition is strictly increasing along the power iteration path. Our proof is based on the Gaussian conditioning technique, which has been applied to analyze the approximate message passing (AMP) algorithm. The major ingredient of our argument is a conditioning lemma that allows us to generalize AMP-type analysis to non-proportional limit and polynomially many iterations of the power method.  ( 2 min )

Bayesian inference for high-dimensional inverse problems is computationally costly and requires selecting a suitable prior distribution. Amortized variational inference addresses these challenges via a neural network that acts as a surrogate conditional distribution, matching the posterior distribution not only for one instance of data, but a distribution of data pertaining to a specific inverse problem. During inference, the neural network -- in our case a conditional normalizing flow -- provides posterior samples with virtually no cost. However, the accuracy of Amortized variational inference relies on the availability of high-fidelity training data, which seldom exists in geophysical inverse problems due to the Earth's heterogeneity. In addition, the network is prone to errors if evaluated over out-of-distribution data. As such, we propose to increases the resilience of amortized variational inference in presence of moderate data distribution shifts. We achieve this via a correction to the latent distribution that improves the posterior distribution approximation for the data at hand. The correction involves relaxing the standard Gaussian assumption on the latent distribution and parameterizing it via a Gaussian distribution with an unknown mean and (diagonal) covariance. These unknowns are then estimated by minimizing the Kullback-Leibler divergence between the corrected and (physics-based) true posterior distributions. While generic and applicable to other inverse problems, by means of a linearized seismic imaging example, we show that our correction step improves the robustness of amortized variational inference with respect to changes in number of seismic sources, noise variance, and shifts in the prior distribution. This approach provides a seismic image with limited artifacts and an assessment of its uncertainty with approximately the same cost as five reverse-time migrations.  ( 2 min )

In a high dimensional linear predictive regression where the number of potential predictors can be larger than the sample size, we consider using LASSO, a popular L1-penalized regression method, to estimate the sparse coefficients when many unit root regressors are present. Consistency of LASSO relies on two building blocks: the deviation bound of the cross product of the regressors and the error term, and the restricted eigenvalue of the Gram matrix of the regressors. In our setting where unit root regressors are driven by temporal dependent non-Gaussian innovations, we establish original probabilistic bounds for these two building blocks. The bounds imply that the rates of convergence of LASSO are different from those in the familiar cross sectional case. In practical applications given a mixture of stationary and nonstationary predictors, asymptotic guarantee of LASSO is preserved if all predictors are scale-standardized. In an empirical example of forecasting the unemployment rate with many macroeconomic time series, strong performance is delivered by LASSO when the initial specification is guided by macroeconomic domain expertise.  ( 2 min )

Explainability has become a central requirement for the development, deployment, and adoption of machine learning (ML) models and we are yet to understand what explanation methods can and cannot do. Several factors such as data, model prediction, hyperparameters used in training the model, and random initialization can all influence downstream explanations. While previous work empirically hinted that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we measure the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors (hyperparameters) (inputs to generate saliency-based Es or Ys). We discover that Y's relative direct influence on E follows an odd pattern; the influence is higher in the lowest-performing models than in mid-performing models, and it then decreases in the top-performing models. We believe our work is a promising first step towards providing better guidance for practitioners who can make more informed decisions in utilizing these explanations by knowing what factors are at play and how they relate to their end task.  ( 2 min )

For the differential privacy under the sub-Gamma noise, we derive the asymptotic properties of a class of network models with binary values with general link function. In this paper, we release the degree sequences of the binary networks under a general noisy mechanism with the discrete Laplace mechanism as a special case. We establish the asymptotic result including both consistency and asymptotically normality of the parameter estimator when the number of parameters goes to infinity in a class of network models. Simulations and a real data example are provided to illustrate asymptotic results.  ( 2 min )

Currently, there are no convincing proxies for the fundamentals of cryptocurrency assets. We propose a new market-to-fundamental ratio, the price-to-utility (PU) ratio, utilizing unique blockchain accounting methods. We then proxy various fundamental-to-market ratios by Bitcoin historical data and find they have little predictive power for short-term bitcoin returns. However, PU ratio effectively predicts long-term bitcoin returns. We verify PU ratio valuation by unsupervised and supervised machine learning. The valuation method informs investment returns and predicts bull markets effectively. Finally, we present an automated trading strategy advised by the PU ratio that outperforms the conventional buy-and-hold and market-timing strategies. We distribute the trading algorithms as open-source software via Python Package Index for future research.  ( 2 min )

Interacting particle or agent systems that display a rich variety of swarming behaviours are ubiquitous in science and engineering. A fundamental and challenging goal is to understand the link between individual interaction rules and swarming. In this paper, we study the data-driven discovery of a second-order particle swarming model that describes the evolution of $N$ particles in $\mathbb{R}^d$ under radial interactions. We propose a learning approach that models the latent radial interaction function as Gaussian processes, which can simultaneously fulfill two inference goals: one is the nonparametric inference of {the} interaction function with pointwise uncertainty quantification, and the other one is the inference of unknown scalar parameters in the non-collective friction forces of the system. We formulate the learning problem as a statistical inverse problem and provide a detailed analysis of recoverability conditions, establishing that a coercivity condition is sufficient for recoverability. Given data collected from $M$ i.i.d trajectories with independent Gaussian observational noise, we provide a finite-sample analysis, showing that our posterior mean estimator converges in a Reproducing kernel Hilbert space norm, at an optimal rate in $M$ equal to the one in the classical 1-dimensional Kernel Ridge regression. As a byproduct, we show we can obtain a parametric learning rate in $M$ for the posterior marginal variance using $L^{\infty}$ norm, and the rate could also involve $N$ and $L$ (the number of observation time instances for each trajectory), depending on the condition number of the inverse problem. Numerical results on systems that exhibit different swarming behaviors demonstrate efficient learning of our approach from scarce noisy trajectory data.  ( 2 min )

In this paper, we tackle a novel federated learning (FL) problem for optimizing a family of X-risks, to which no existing FL algorithms are applicable. In particular, the objective has the form of $\mathbb E_{z\sim S_1} f(\mathbb E_{z'\sim S_2} \ell(w; z, z'))$, where two sets of data $S_1, S_2$ are distributed over multiple machines, $\ell(\cdot)$ is a pairwise loss that only depends on the prediction outputs of the input data pairs $(z, z')$, and $f(\cdot)$ is possibly a non-linear non-convex function. This problem has important applications in machine learning, e.g., AUROC maximization with a pairwise loss, and partial AUROC maximization with a compositional loss. The challenges for designing an FL algorithm lie in the non-decomposability of the objective over multiple machines and the interdependency between different machines. To address the challenges, we propose an active-passive decomposition framework that decouples the gradient's components with two types, namely active parts and passive parts, where the active parts depend on local data that are computed with the local model and the passive parts depend on other machines that are communicated/computed based on historical models and samples. Under this framework, we develop two provable FL algorithms (FeDXL) for handling linear and nonlinear $f$, respectively, based on federated averaging and merging. We develop a novel theoretical analysis to combat the latency of the passive parts and the interdependency between the local model parameters and the involved data for computing local gradient estimators. We establish both iteration and communication complexities and show that using the historical samples and models for computing the passive parts do not degrade the complexities. We conduct empirical studies of FeDXL for deep AUROC and partial AUROC maximization, and demonstrate their performance compared with several baselines.  ( 3 min )

Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of parallelisation has hindered its practical applications. In this work, we propose a parallelised (batch) BQ method, employing techniques from kernel quadrature, that possesses an empirically exponential convergence rate. Additionally, just as with Nested Sampling, our method permits simultaneous inference of both posteriors and model evidence. Samples from our BQ surrogate model are re-selected to give a sparse set of samples, via a kernel recombination algorithm, requiring negligible additional time to increase the batch size. Empirically, we find that our approach significantly outperforms the sampling efficiency of both state-of-the-art BQ techniques and Nested Sampling in various real-world datasets, including lithium-ion battery analytics.  ( 2 min )

The convergence of stochastic interacting particle systems in the mean-field limit to solutions of conservative stochastic partial differential equations is established, with optimal rate of convergence. As a second main result, a quantitative central limit theorem for such SPDEs is derived, again, with optimal rate of convergence. The results apply, in particular, to the convergence in the mean-field scaling of stochastic gradient descent dynamics in overparametrized, shallow neural networks to solutions of SPDEs. It is shown that the inclusion of fluctuations in the limiting SPDE improves the rate of convergence, and retains information about the fluctuations of stochastic gradient descent in the continuum limit.  ( 2 min )

In consequential decision-making applications, mitigating unwanted biases in machine learning models that yield systematic disadvantage to members of groups delineated by sensitive attributes such as race and gender is one key intervention to strive for equity. Focusing on demographic parity and equality of opportunity, in this paper we propose an algorithm that improves the fairness of a pre-trained classifier by simply dropping carefully selected training data points. We select instances based on their influence on the fairness metric of interest, computed using an infinitesimal jackknife-based approach. The dropping of training points is done in principle, but in practice does not require the model to be refit. Crucially, we find that such an intervention does not substantially reduce the predictive performance of the model but drastically improves the fairness metric. Through careful experiments, we evaluate the effectiveness of the proposed approach on diverse tasks and find that it consistently improves upon existing alternatives.  ( 2 min )

We consider the problem of estimating the interacting neighborhood of a Markov Random Field model with finite support and homogeneous pairwise interactions based on relative positions of a two-dimensional lattice. Using a Bayesian framework, we propose a Reversible Jump Monte Carlo Markov Chain algorithm that jumps across subsets of a maximal range neighborhood, allowing us to perform model selection based on a marginal pseudoposterior distribution of models. To show the strength of our proposed methodology we perform a simulation study and apply it to a real dataset from a discrete texture image analysis.  ( 2 min )

We introduce a novel and highly tractable supervised learning approach based on neural networks that can be applied for the computation of model-free price bounds of, potentially high-dimensional, financial derivatives and for the determination of optimal hedging strategies attaining these bounds. In particular, our methodology allows to train a single neural network offline and then to use it online for the fast determination of model-free price bounds of a whole class of financial derivatives with current market data. We show the applicability of this approach and highlight its accuracy in several examples involving real market data. Further, we show how a neural network can be trained to solve martingale optimal transport problems involving fixed marginal distributions instead of financial market data.  ( 2 min )

tl;dr I built a site that uses GPT-3.5 to answer natural-language medical questions using peer-reviewed medical studies. Live demo: https://www.glaciermd.com/search Background I've been working for a while on building a better version of WebMD, and I recently started playing around with LLMs, trying to figure out if there was anything useful there. The problem with the current batch of "predict-next-token" LLMs is that they hallucinate—you can ask ChatGPT to answer medical questions, but it'll either Refuse to answer (not great) Give a completely false answer (really super bad) So I spent some time trying to coax these LLMs to give answers based on a very specific set of inputs (peer-reviewed medical research) to see if I could get more accurate answers. And I did! The best part is you can actually trace the final answer back to the original sources, which will hopefully instill some confidence in the result. Here's how it works: User types in a question Pull top ~800 studies from Semantic Scholar and Pubmed Re-rank using sentence-transformers/multi-qa-MiniLM-L6-cos-v1 Ask text-davinci-003 to answer the question based on the top 10 studies (if possible) Summarize those answers using text-davinci-003 Would love to hear what people think (and if there's a better/cheaper way to do it!). submitted by /u/tmblweeds [link] [comments]  ( 63 min )

Does anyone have Benchmarks of RTX 3090 vs RTX 3090 Ti for NLP (such as Transformer Fine-Tuning or anything), Computer vision or deep learning problems. I am trying to see if speed difference makes sense or not for these models and also if its possible to run multiple models in parallel on these machines without frying them ? submitted by /u/jaiabh1 [link] [comments]  ( 58 min )

Well, I basically said it in my title. Is it possible to take digitized DNA as input for a neural network and generate an output with a face, assuming it has training data (DNA-Photo) from an international database? submitted by /u/st4s1k [link] [comments]  ( 64 min )

Hey, I'm new to machine learning and I have a question. I'm currently working on my first project where I'm trying to use machine learning to recognise different waveforms that occur in my home network. I have a small dataset of about 10 different waveforms (each has around 80 values of measured voltage in a short time frame once a specific event in the network happens). What I need is for the algorithm to recognise once one of these specific events happen and tell me which one it was (or was close to) compared with the waveforms in the dataset. Which model would you recomment for doing this? I've tried knn tree but couldn't get it to work.. Any help is greatly appreciated submitted by /u/Tavallist [link] [comments]  ( 61 min )

Hi all, I'm running a small scale ML experiment with human subjects, and the lab ran into funding issues right when we were ready to launch the final version of the experiment. Are you aware of any small scale (<$10k), fast turnaround (<month) grants or scholarships that we can apply for to close this financial gap? If it matters, the lab is part of a US research institution, the researchers have a green card but are not US citizens. Thanks!! submitted by /u/HackZisBotez [link] [comments]  ( 60 min )

I am currently learning tools for data science, in particular in a business analysis setting for pricing strategy, demand forecast, etc. I am currently reading Géron's Hands on ML and I am fascinated by some of the ML concepts, such as regressions and random forests, and see the potentials of these tools for business data science. But now when I am reading the neural network part of the book with Keras and TensorFlow, I slowly realised that these tools are used for a really big datasets and features for tasks such as computer vision, voice recognition, etc and not for business analysis applications. Am I right in this feeling that the basic ML tools are enough, or is there real application for neural networks and advanced ML tools for business data analysis? submitted by /u/lordgriefter [link] [comments]  ( 59 min )

I am looking for the hyper-parameter settings that could produce the highest accuracies for plain ViT (i.e., without modifying the model architecture) on ImageNet-1K, training from scratch. A lot of people in this sub have experience with ViT so I hope I could get some help here. For ViT-S, we have a recipe that can achieve 80.0% top-1 accuracy from this paper: Better plain ViT baselines for ImageNet-1k. Unfortunately they did not experiment with larger architecture (ViT-B or ViT-L). For ViT-B, ViT-L and ViT-H, the authors of MAE claimed to achieve 82.3%, 82.6% and 83.1%, respectively (see their Table 3). However, I was unable to reproduce these results using their code and their reported hyper-parameters. Any references to strong ViT baselines with reproducible results would be very much appreciated! Thanks. submitted by /u/netw0rkf10w [link] [comments]  ( 60 min )

I remember reading a paper a while back that showed early attention layers in a transformer could be replaced with a simpler mechanism since most heads only modeled small n-grams. I think they used some kind of pooling? Wondering if anyone knows which paper that was and had any thoughts about it since then. Thanks! submitted by /u/soraki_soladead [link] [comments]  ( 58 min )

Currently I noticed that some pytorch training modules use Learning Rate Scheduler and momentum rate Scheduler , a lot of momentum rate schedulers exist similar to LR scheduler ranging from Lambda, Cosine, Cyclic schedulers , one article that caught my eye that was very interesting was something called Demon (paper: link) where the momentum starts at a very high value such as 0.9 and then reduces to a very low value towards the end. So my idea was to implement a OneCycle Learning Rate Scheduler with a warmup of 15 epochs which starts from 0.0002 and then goes to 0.1 and then falls back to a very low value towards the end of the last epoch to about 0.00002 and also implement the Demon momentum Scheduler. Now my question is will using a demon momentum where we end towards a very low value useful. Now according to the stochastic gradient update equations, initially we would give importance to the average value of the change in gradients and towards the end we would give importance to the next immediate change in gradients using the demon momentum (due to low value) and since the learning rate would be low, the change in the weights would also be minimal , is this useful ? , or in other articles they suggest using low momentum for high learning rate and towards the end of the epoch increase the momentum and decrease the learning rate. So basically first it starts with a momentum with SGD then slowly towards the end it becomes a vanilla SGD. Demon momentum scheduler One Cycle LR cosine sheduler SGD momentum formulas submitted by /u/skeletons_of_closet [link] [comments]  ( 64 min )

Imagine a situation where you have thousands of documents But need to find an answer from the documents And at the same time, get the document where the answer is coming from You could open and search the documents one by one But that would take forever Enter Extractive Question Answering with Sparse Transformers With Extractive Question Answering, you input a query into the system And in return, you get the answer to your question and the document containing the answer. Extractive Question Answering enables you to search many records and find the answer. It works by: - Retrieving documents that are relevant to answering the questions. - Returns text that answers that question. Language models make this possible. For example, the receiver can be a masked language model. The reader can be a question-answering model. The challenge of these language models is that they are quite large. The size makes it hard to deploy the models for real-time inference. For example, deploying big models is not possible on mobile devices. Furthermore, inference time, latency, and throughput are also critical. The solution is to reduce the model's size while maintaining its accuracy. Making the model small is easy but maintaining accuracy is challenging. These can be achieved by pruning and quantizing the model. Pruning involves removing some weight connection from an otherwise overprecise and overparameterized model. Furthermore, you can reduce the precision of the floating points to make the model smaller. In today's article, I cover this in more detail. Including: 💡 Document retrieval with DeepSparse and arXiv dataset 💡 Document retrieval with a dense and sparse model 💡 Comparing the performance between dense and sparse models Read the full article: https://neuralmagic.com/blog/search-documents-quickly-with-extractive-question-answering-and-sparse-transformers/ submitted by /u/mwitiderrick [link] [comments]  ( 61 min )

TL;DR Image search with open vocabulary localization using both index and search time methods. Article (no paywall): https://medium.com/@jesse_894/image-search-with-localization-and-open-vocabulary-reranking-using-marqo-yolox-clip-and-owl-vit-9c636350bf66?source=friends_link&sk=b4e94d9d4095a2b8b60c5d1904a60825 Markdown: https://github.com/marqo-ai/marqo/blob/mainline/examples/ImageSearchLocalization/article.md Code: https://github.com/marqo-ai/marqo/blob/mainline/examples/ImageSearchLocalization/index_all_data.py I wanted to have a few choices getting localization into image search (index and search time). I immediately thought of using a region proposal network (rpn) from mask-rcnn to create patches that can also be indexed and searched (and add the localisation). I figured it might …  ( 59 min )

Say I have some trained model that learns an embedding eg: classifier. I freeze it and chop of all layers past the embedding that I want. Now using this embedding, I train a decoder to reconstruct the original encoded object. Would the reconstruction give me a qualitative insight into what sort of representation the frozen model has learned? If so, why? An example with images: I observe that human eyes are reconstructed quite well, but everything else is unclear, giving me the indication that my learned embedding successfully encodes eyes. submitted by /u/SwiftLynx [link] [comments]  ( 65 min )

How to set up multiple ocr in such a way that the final recognition is better keeping in mind that it should work well in production as we.. What methods can be used to get better output for each text from multiple OCR ? How can we determine which OCR produce better result in multiple OCR setup. submitted by /u/fountainhop [link] [comments]  ( 61 min )

Been experimenting with language models a lot lately and wondering if human generated text (i.e. "natural" text) is really supposed to be maximally likely according to language models even after training. For example, has someone checked likelihood of human translated text to likelihood of machine translated text according to a language model like GPT-3 ? ​ Are there any works that do this already ? Does this idea even make sense to begin with ? submitted by /u/Emergency_Apricot_77 [link] [comments]  ( 63 min )

I am working on a problem where the negative/0 label to postie/1 label ratio is 180MM/10MM. The data size is around 25GB and I have >500 features. Certainly, I don't want to use all 180MM rows of majority class to train my model due to computational limitations. Currently, I simply perform an under-sampling from majority class. However, I have been reading that this may cause loss of the useful information or cause difficulties for determining the decision boundary between the classes (see https://machinelearningmastery.com/undersampling-algorithms-for-imbalanced-classification/). When I do the under-sampling, I try to make sure that distribution of my data stays the same. I am wondering if there is a better way to handle this? submitted by /u/hopedallas [link] [comments]  ( 66 min )

Project repo: https://github.com/Linyou/taichi-ngp-renderer Instant NGP is a novel view synthesis framework that reduces the model training for a single scene from hours to a few seconds. This project is a CUDA-free instant NGP renderer implemented in Taichi. Supported by Taichi's built-in GUI system, the project supports real-time rendering and camera interaction while consuming less than 1GB of VRAM. It also contains a fully fused multilayer perceptron (MLP) enabled by the SharedArray feature. The following are some pre-trained NeRF synthesis scenes: https://preview.redd.it/kdlwzps1uy5a1.png?width=1236&format=png&auto=webp&s=f803745aa67f072bf04ebc178b5f0da8cabb3e77 submitted by /u/TaichiOfficial [link] [comments]  ( 66 min )

Why is it that when I go to create a CNN with 4 layers (output channels: 64, 32, 16, 16), I can do this in PyTorch, but in Tensorflow I get resource errors saying I don't have enough resources? For reference I am using a stock NVIDIA RTX 3080. Also, now that I am experimenting with larger models, would I benefit from renting TPU? Does this make the actual models train faster and would it help with larger batches? submitted by /u/Oceanboi [link] [comments]  ( 6 min )

I'm doing a research project for which I need to run UCB-VI on a tabular gym environment. I've been searching for python packages that implement it, but they are surprisingly scarce! The only one I've found so far is rlberry, but it seems to be quite buggy. Anyone have any suggestions? submitted by /u/the_bovine_life [link] [comments]  ( 54 min )

I have a very large algorithm written in C++ for LibTorch that outputs zero after about 20k steps. I have encluded the code below, but there is quite a lot of code here, so maybe I can get a more general answer or get some ideas from the community to test because you likely will not want to run this code. I had to delete a good portion of it be below the char limit for StackOverflow. But, be my guest. This is the Maximum a Posteriori Policy Optimisation algorithm. This algorithm controls agents in the MuJoCo physics simulator. The algorithm uses a Markov Decision Process and a reward is set for the agent to learn to maximize. I tried the very simple "agent" of an inverted pendulum and it seemed to maximize the reward and balance the pendulum after a few thousand steps. When I try it on a …  ( 59 min )

I'm trying to use RL to optimize a game that I'm currently playing. ​ I feel its a supply chain problem which can be optimized using RL. ​ Below is the chart depicting all the items that have to be created to complete a level. Game items flow. These items have to be crafted in different quantities with individual lead times. They are crafted using coins and the unit price increases with time to craft remaining the same. ​ The unit cost increases as follows: 1st unit is crafted with say x + (x/2) * 0 coins 2nd unit will be crafted with x + (x/2) * 1 coins 3rd unit will be crafted with x + (x/2) * 2 coins ​ But the lead time for a batch of items remains the same. Say I craft a 10 unit batch of needle, I have to make sure that 10 units of ribbon & 40 units of metal is available at the time of crafting. And the price of the batch will be 10 x + (x/2) * (0 + 1 + 2 + ... + 9) ​ The time to craft the batch is constant at y. ​ ​ I want to create a policy such that the wait times of the higher order items is minimized along with the number of coins used. ​ Need help in creating this environment, running simulations and optimize with DRL. PS: Please feel free to ask questions if anything is unclear. submitted by /u/haldarankit [link] [comments]  ( 54 min )

Hey all! I've been exploring new areas of ML over 2022 so I've missed a decent amount in terms of RL innovations over this year. I was wondering if anyone had good paper recommendations for me to catch up on? What were your "wow, this is big" papers of this year? submitted by /u/iamquah [link] [comments]  ( 56 min )

submitted by /u/Lakshmireddys [link] [comments]  ( 51 min )

Decision Transformers (DT) are relatively new in the world of Reinforcement Learning. In a new work, recently accepted for publication in IEEE Robotics and Automation Letters, we explore the use of DT for robotic object throwing. Object throwing, without prior knowledge of the required motion, can be very dangerous to learn on a real robot. Training in simulation, in addition, provides an out-of-distribution and far-from-reality policy. We show that, with DT and after training a policy with simulated throws, sim2real can be done with only a handful of real throws. The DT can extrapolate and accurately throw to goals that are out-of-distribution to the training data. Video: https://m.youtube.com/watch?v=5_G6o_H3HeE&feature=youtu.be Paper: https://ieeexplore.ieee.org/document/9984828 submitted by /u/maxorpaxor [link] [comments]  ( 55 min )

https://github.com/tomasvr/turtlebot3_drlnav Hi all! I created this platform based on the existing TurtleBot3 platform in order to make it easier for people to experiment with deep reinforcement learning for mobile robot navigation. Currently, the platform includes PyTorch implementations for DQN, DDPG, and TD3. The platform is based on ROS2 and provides multiple facilities such as storing/loading models, recording training output, and visualizing neural network activity. The system has also been validated on a low-cost physical robot, videos are included in the GitHub readme. I wanted to share the platform here in the hope that it could be helpful for anyone wanting to experiment with deep reinforcement learning or even implement their own algorithms. Thanks! submitted by /u/FlutteringReeds [link] [comments]  ( 55 min )

Hello! I am trying to learn reinforcement learning for a game that I'm working on, and, to start small, I have the following environment: A 2d 50x50 grid with a target. The AI starts in a random location, and is given a reward of 1.0 if it hits the target and -1.0 if it hits the edge of the grid. Its actions are to move by 1.0 in one of the four cardinal directions, or to do nothing. The observation space is simply the x,y coordinates of the AI and of the target. If the target is always in the center, then it learns quickly to move toward the target. If the target spawns at a random location each time, it does not, though it does seem to learn to avoid the walls, and eventually just kind of jiggles in place. I started with a Rust port of CleanRL's PPO implementation, here. Thinking that I may have messed up the port, I have also created it in python here, using the actual CleanRL PPO implementation, but the behavior appears to be the same. Is there something fundamental I could be missing? It seems to me that this should be a very simple environment to learn. submitted by /u/paholg [link] [comments]  ( 57 min )

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https://youtu.be/0fEG0ClkIdo submitted by /u/dondomigo [link] [comments]  ( 53 min )

I'm just getting into GAs and am interested in them for mathematics work. I have some funding to build a machine and am planning to also use it for training some deep learning models. So I'm currently considering an Intel i9 13900k, 128GB RAM, and an RTX 4090 GPU. But would I benefit from a Threadripper pro CPU for GAs? It wouldn't do much for deep learning but if it would benefit GA work then I could justify it. Thanks! Note: Apparently I'm restricted from posting at /r/genetic_algorithms as it's only for "trusted members". I hope it's ok here. submitted by /u/computing_professor [link] [comments]  ( 53 min )

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This is probably asking a lot, and apologies if it is not a good fit for this subreddit, but are there any existing AI tools that would allow me to take a still image of a character that I drew myself, and create a new picture with that character doing something else? Like, I have the character standing in a neutral pose, and I want it to be riding a motorcycle? submitted by /u/darnbirch [link] [comments]  ( 52 min )

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Researchers in Israel have come up with an artificial intelligence tool capable of analysing ECG tests and predicting heart failure with an unprecedented accuracy rate. According to the Times of Israel, the technology is currently being used for patients who suffer from myositis — a condition that significantly increases the risk of heart failure. The AI model was updated by feeding the data from ECG scans and medical records of 89 patients suffering from myositis between 2000 and 2020. The report claimed that the AI can understand subtle patterns in the ECGs and predict possible heart failures well ahead of time. Head Researcher, Dr. Shahar Shelly of Rambam Healthcare Campus said: “We are running ECG tests through the AI model, which sees details that doctors can’t normally detect and then predicts who is at risk of heart failure,” said Shelly. “Given that it’s these cardiac dysfunctions that often end up killing people, this can save lives.” Another Game-changing development from AI, and this one is absolutely MASSIVE ​ This is from the AI With Vibes Newsletter, read the full issue here: https://aiwithvibes.beehiiv.com/p/ai-porn-billie-eilish-goes-viral-tiktok-chatgpt-brutally-destroyed-pun-competition submitted by /u/Mk_Makanaki [link] [comments]  ( 49 min )

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From what I gathered it's a tool developed by OpenAI to chat with an AI, I don't find that particularly fascinating to the point that everyone is talking about it so maybe I'm wrong and someone could enlighten me in that aspect? ​ Thanks. submitted by /u/hisdudeness_ishere [link] [comments]  ( 51 min )

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This would change my life. submitted by /u/Thesmallcookie [link] [comments]  ( 50 min )

ai-jobs.net has you covered - it currently lists over 1K open remote roles globally: https://ai-jobs.net/remote-jobs/ Is there anything you miss in terms of job search? Would also be interesting to hear what your take is on the current job market in this space. submitted by /u/ai_jobs [link] [comments]  ( 56 min )

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We are excited to announce a new embedding model which is significantly more capable, cost effective, and simpler to use. The new model, text-embedding-ada-002, replaces five separate models for text search, text similarity, and code search, and outperforms our previous most capable model, Davinci, at most tasks, while being priced  ( 4 min )

We are thrilled to announce the availability of the LightOn Lyra-fr foundation model for customers using Amazon SageMaker. LightOn is a leader in building foundation models specializing in European languages. Lyra-fr is a state-of-the-art French language model that can be used to build conversational AI, copywriting tools, text classifiers, semantic search, and more. You can […]  ( 7 min )

While the weather outside may or may not be frightful this holiday season, new games on GeForce NOW each week make every GFN Thursday delightful. It doesn’t matter whether you’re on the naughty or nice list. With over 1,400 titles streaming from the cloud, there’s something for everyone to play across nearly all of their Read article > The post Have a Holly, Jolly Holiday Streaming Top Titles on GeForce NOW appeared first on NVIDIA Blog.  ( 6 min )

Suppose a spaceship is headed from the earth to the moon. At some point we say that the ship has left the earth’s sphere of influence is now in the moon’s sphere of influence (SOI). What does that mean exactly? Wrong explanation #1 One way you’ll hear it described is that the moon’s sphere of […] Sphere of infuence first appeared on John D. Cook.  ( 7 min )

Do fifth degree polynomial equations come up in applications? Yes, and this post will give an example. In general the three-body problem, describing the motion of three objects interacting under gravity, does not have a closed-form solution. However, Euler and Lagrange discovered a few special cases that do have closed-form solutions. We will look at […] Lagrange’s quintic and Descartes’ rule first appeared on John D. Cook.  ( 5 min )

The rectified linear unit (ReLU) is a highly successful activation function in neural networks as it allows networks to easily obtain sparse representations, which reduces overfitting in overparameterized networks. However, in network pruning, we find that the sparsity introduced by ReLU, which we quantify by a term called dynamic dead neuron rate (DNR), is not beneficial for the pruned network. Interestingly, the more the network is pruned, the smaller the dynamic DNR becomes during optimization. This motivates us to propose a method to explicitly reduce the dynamic DNR for the pruned network, i.e., de-sparsify the network. We refer to our method as Activating-while-Pruning (AP). We note that AP does not function as a stand-alone method, as it does not evaluate the importance of weights. Instead, it works in tandem with existing pruning methods and aims to improve their performance by selective activation of nodes to reduce the dynamic DNR. We conduct extensive experiments using popular networks (e.g., ResNet, VGG) via two classical and three state-of-the-art pruning methods. The experimental results on public datasets (e.g., CIFAR-10/100) suggest that AP works well with existing pruning methods and improves the performance by 3% - 4%. For larger scale datasets (e.g., ImageNet) and state-of-the-art networks (e.g., vision transformer), we observe an improvement of 2% - 3% with AP as opposed to without. Lastly, we conduct an ablation study to examine the effectiveness of the components comprising AP.

The publication time of a document carries a relevant information about its semantic content. The Dirichlet-Hawkes process has been proposed to jointly model textual information and publication dynamics. This approach has been used with success in several recent works, and extended to tackle specific challenging problems --typically for short texts or entangled publication dynamics. However, the prior in its current form does not allow for complex publication dynamics. In particular, inferred topics are independent from each other --a publication about finance is assumed to have no influence on publications about politics, for instance. In this work, we develop the Multivariate Powered Dirichlet-Hawkes Process (MPDHP), that alleviates this assumption. Publications about various topics can now influence each other. We detail and overcome the technical challenges that arise from considering interacting topics. We conduct a systematic evaluation of MPDHP on a range of synthetic datasets to define its application domain and limitations. Finally, we develop a use case of the MPDHP on Reddit data. At the end of this article, the interested reader will know how and when to use MPDHP, and when not to.

In recent years, Multi-Agent Path Finding (MAPF) has attracted attention from the fields of both Operations Research (OR) and Reinforcement Learning (RL). However, in the 2021 Flatland3 Challenge, a competition on MAPF, the best RL method scored only 27.9, far less than the best OR method. This paper proposes a new RL solution to Flatland3 Challenge, which scores 125.3, several times higher than the best RL solution before. We creatively apply a novel network architecture, TreeLSTM, to MAPF in our solution. Together with several other RL techniques, including reward shaping, multiple-phase training, and centralized control, our solution is comparable to the top 2-3 OR methods.

Risk management in many environmental settings requires an understanding of the mechanisms that drive extreme events. Useful metrics for quantifying such risk are extreme quantiles of response variables conditioned on predictor variables that describe, e.g., climate, biosphere and environmental states. Typically these quantiles lie outside the range of observable data and so, for estimation, require specification of parametric extreme value models within a regression framework. Classical approaches in this context utilise linear or additive relationships between predictor and response variables and suffer in either their predictive capabilities or computational efficiency; moreover, their simplicity is unlikely to capture the truly complex structures that lead to the creation of extreme wildfires. In this paper, we propose a new methodological framework for performing extreme quantile regression using artificial neutral networks, which are able to capture complex non-linear relationships and scale well to high-dimensional data. The ``black box" nature of neural networks means that they lack the desirable trait of interpretability often favoured by practitioners; thus, we unify linear, and additive, regression methodology with deep learning to create partially-interpretable neural networks that can be used for statistical inference but retain high prediction accuracy. To complement this methodology, we further propose a novel point process model for extreme values which overcomes the finite lower-endpoint problem associated with the generalised extreme value class of distributions. Efficacy of our unified framework is illustrated on U.S. wildfire data with a high-dimensional predictor set and we illustrate vast improvements in predictive performance over linear and spline-based regression techniques.

Out-of-distribution generalization (OODG) is a longstanding challenge for neural networks. This challenge is quite apparent in tasks with well-defined variables and rules, where explicit use of the rules could solve problems independently of the particular values of the variables, but networks tend to be tied to the range of values sampled in their training data. Large transformer-based language models have pushed the boundaries on how well neural networks can solve previously unseen problems, but their complexity and lack of clarity about the relevant content in their training data obfuscates how they achieve such robustness. As a step toward understanding how transformer-based systems generalize, we explore the question of OODG in small scale transformers trained with examples from a known distribution. Using a reasoning task based on the puzzle Sudoku, we show that OODG can occur on a complex problem if the training set includes examples sampled from the whole distribution of simpler component tasks. Successful generalization depends on carefully managing positional alignment when absolute position encoding is used, but we find that suppressing sensitivity to absolute positions overcomes this limitation. Taken together our results represent a small step toward understanding and promoting systematic generalization in transformers.

Network embedding has emerged as a promising research field for network analysis. Recently, an approach, named Barlow Twins, has been proposed for self-supervised learning in computer vision by applying the redundancy-reduction principle to the embedding vectors corresponding to two distorted versions of the image samples. Motivated by this, we propose Barlow Graph Auto-Encoder, a simple yet effective architecture for learning network embedding. It aims to maximize the similarity between the embedding vectors of immediate and larger neighborhoods of a node, while minimizing the redundancy between the components of these projections. In addition, we also present the variation counterpart named as Barlow Variational Graph Auto-Encoder. Our approach yields promising results for inductive link prediction and is also on par with state of the art for clustering and downstream node classification, as demonstrated by extensive comparisons with several well-known techniques on three benchmark citation datasets.

The multi-armed bandit(MAB) problem is a simple yet powerful framework that has been extensively studied in the context of decision-making under uncertainty. In many real-world applications, such as robotic applications, selecting an arm corresponds to a physical action that constrains the choices of the next available arms (actions). Motivated by this, we study an extension of MAB called the graph bandit, where an agent travels over a graph to maximize the reward collected from different nodes. The graph defines the agent's freedom in selecting the next available nodes at each step. We assume the graph structure is fully available, but the reward distributions are unknown. Built upon an offline graph-based planning algorithm and the principle of optimism, we design a learning algorithm, \texttt{G-UCB}, that balances long-term exploration-exploitation using the principle of optimism. We show that our proposed algorithm achieves $O(\sqrt{|S|T\log(T)}+D|S|\log T)$ learning regret, where $|S|$ is the number of nodes and $D$ is the diameter of the graph, which matches the theoretical lower bound $\Omega(\sqrt{|S|T})$ up to logarithmic factors. To our knowledge, this result is among the first tight regret bounds in non-episodic, un-discounted learning problems with known deterministic transitions. Numerical experiments confirm that our algorithm outperforms several benchmarks.

The evaluation of clustering algorithms can involve running them on a variety of benchmark problems, and comparing their outputs to the reference, ground-truth groupings provided by experts. Unfortunately, many research papers and graduate theses consider only a small number of datasets. Also, the fact that there can be many equally valid ways to cluster a given problem set is rarely taken into account. In order to overcome these limitations, we have developed a framework whose aim is to introduce a consistent methodology for testing clustering algorithms. Furthermore, we have aggregated, polished, and standardised many clustering benchmark dataset collections referred to across the machine learning and data mining literature, and included new datasets of different dimensionalities, sizes, and cluster types. An interactive datasets explorer, the documentation of the Python API, a description of the ways to interact with the framework from other programming languages such as R or MATLAB, and other details are all provided at .

Speech emotion conversion is the task of modifying the perceived emotion of a speech utterance while preserving the lexical content and speaker identity. In this study, we cast the problem of emotion conversion as a spoken language translation task. We use a decomposition of the speech signal into discrete learned representations, consisting of phonetic-content units, prosodic features, speaker, and emotion. First, we modify the speech content by translating the phonetic-content units to a target emotion, and then predict the prosodic features based on these units. Finally, the speech waveform is generated by feeding the predicted representations into a neural vocoder. Such a paradigm allows us to go beyond spectral and parametric changes of the signal, and model non-verbal vocalizations, such as laughter insertion, yawning removal, etc. We demonstrate objectively and subjectively that the proposed method is vastly superior to current approaches and even beats text-based systems in terms of perceived emotion and audio quality. We rigorously evaluate all components of such a complex system and conclude with an extensive model analysis and ablation study to better emphasize the architectural choices, strengths and weaknesses of the proposed method. Samples are available under the following link: https://speechbot.github.io/emotion.

Although massive pre-trained vision-language models like CLIP show impressive generalization capabilities for many tasks, still it often remains necessary to fine-tune them for improved performance on specific datasets. When doing so, it is desirable that updating the model is fast and that the model does not lose its capabilities on data outside of the dataset, as is often the case with classical fine-tuning approaches. In this work we suggest a lightweight adapter, that only updates the models predictions close to seen datapoints. We demonstrate the effectiveness and speed of this relatively simple approach in the context of few-shot learning, where our results both on classes seen and unseen during training are comparable with or improve on the state of the art.

Denoising diffusion probabilistic models (DDPMs) have been shown to have superior performances in MRI reconstruction. From the perspective of continuous stochastic differential equations (SDEs), the reverse process of DDPM can be seen as maximizing the energy of the reconstructed MR image, leading to SDE sequence divergence. For this reason, a modified high-frequency DDPM model is proposed for MRI reconstruction. From its continuous SDE viewpoint, termed high-frequency space SDE (HFS-SDE), the energy concentrated low-frequency part of the MR image is no longer amplified, and the diffusion process focuses more on acquiring high-frequency prior information. It not only improves the stability of the diffusion model but also provides the possibility of better recovery of high-frequency details. Experiments on the publicly fastMRI dataset show that our proposed HFS-SDE outperforms the DDPM-driven VP-SDE, supervised deep learning methods and traditional parallel imaging methods in terms of stability and reconstruction accuracy.

In this paper we explore whether the fundamental tool of experimental psychology, the behavioral experiment, has the power to generate insight not only into humans and animals, but artificial systems too. We apply the techniques of experimental psychology to investigating catastrophic forgetting in neural networks. We present a series of controlled experiments with two-layer ReLU networks, and exploratory results revealing a new understanding of the behavior of catastrophic forgetting. Alongside our empirical findings, we demonstrate an alternative, behavior-first approach to investigating neural network phenomena.

Visualization methods based on the nearest neighbor graph, such as t-SNE or UMAP, are widely used for visualizing high-dimensional data. Yet, these approaches only produce meaningful results if the nearest neighbors themselves are meaningful. For images represented in pixel space this is not the case, as distances in pixel space are often not capturing our sense of similarity and therefore neighbors are not semantically close. This problem can be circumvented by self-supervised approaches based on contrastive learning, such as SimCLR, relying on data augmentation to generate implicit neighbors, but these methods do not produce two-dimensional embeddings suitable for visualization. Here, we present a new method, called t-SimCNE, for unsupervised visualization of image data. T-SimCNE combines ideas from contrastive learning and neighbor embeddings, and trains a parametric mapping from the high-dimensional pixel space into two dimensions. We show that the resulting 2D embeddings achieve classification accuracy comparable to the state-of-the-art high-dimensional SimCLR representations, thus faithfully capturing semantic relationships. Using t-SimCNE, we obtain informative visualizations of the CIFAR-10 and CIFAR-100 datasets, showing rich cluster structure and highlighting artifacts and outliers.

Inspired by the impressive success of contrastive learning (CL), a variety of graph augmentation strategies have been employed to learn node representations in a self-supervised manner. Existing methods construct the contrastive samples by adding perturbations to the graph structure or node attributes. Although impressive results are achieved, it is rather blind to the wealth of prior information assumed: with the increase of the perturbation degree applied on the original graph, 1) the similarity between the original graph and the generated augmented graph gradually decreases; 2) the discrimination between all nodes within each augmented view gradually increases. In this paper, we argue that both such prior information can be incorporated (differently) into the contrastive learning paradigm following our general ranking framework. In particular, we first interpret CL as a special case of learning to rank (L2R), which inspires us to leverage the ranking order among positive augmented views. Meanwhile, we introduce a self-ranking paradigm to ensure that the discriminative information among different nodes can be maintained and also be less altered to the perturbations of different degrees. Experiment results on various benchmark datasets verify the effectiveness of our algorithm compared with the supervised and unsupervised models.

Exploratory data analytics (EDA) is a sequential decision making process where analysts choose subsequent queries that might lead to some interesting insights based on the previous queries and corresponding results. Data processing systems often execute the queries on samples to produce results with low latency. Different downsampling strategy preserves different statistics of the data and have different magnitude of latency reductions. The optimum choice of sampling strategy often depends on the particular context of the analysis flow and the hidden intent of the analyst. In this paper, we are the first to consider the impact of sampling in interactive data exploration settings as they introduce approximation errors. We propose a Deep Reinforcement Learning (DRL) based framework which can optimize the sample selection in order to keep the analysis and insight generation flow intact. Evaluations with 3 real datasets show that our technique can preserve the original insight generation flow while improving the interaction latency, compared to baseline methods.

Adversarial images are created with the intention of causing an image classifier to produce a misclassification. In this paper, we propose that adversarial images should be evaluated based on semantic mismatch, rather than label mismatch, as used in current work. In other words, we propose that an image of a "mug" would be considered adversarial if classified as "turnip", but not as "cup", as current systems would assume. Our novel idea of taking semantic misclassification into account in the evaluation of adversarial images offers two benefits. First, it is a more realistic conceptualization of what makes an image adversarial, which is important in order to fully understand the implications of adversarial images for security and privacy. Second, it makes it possible to evaluate the transferability of adversarial images to a real-world classifier, without requiring the classifier's label set to have been available during the creation of the images. The paper carries out an evaluation of a transfer attack on a real-world image classifier that is made possible by our semantic misclassification approach. The attack reveals patterns in the semantics of adversarial misclassifications that could not be investigated using conventional label mismatch.

We propose a novel model agnostic data-driven reliability analysis framework for time-dependent reliability analysis. The proposed approach -- referred to as MAntRA -- combines interpretable machine learning, Bayesian statistics, and identifying stochastic dynamic equation to evaluate reliability of stochastically-excited dynamical systems for which the governing physics is \textit{apriori} unknown. A two-stage approach is adopted: in the first stage, an efficient variational Bayesian equation discovery algorithm is developed to determine the governing physics of an underlying stochastic differential equation (SDE) from measured output data. The developed algorithm is efficient and accounts for epistemic uncertainty due to limited and noisy data, and aleatoric uncertainty because of environmental effect and external excitation. In the second stage, the discovered SDE is solved using a stochastic integration scheme and the probability failure is computed. The efficacy of the proposed approach is illustrated on three numerical examples. The results obtained indicate the possible application of the proposed approach for reliability analysis of in-situ and heritage structures from on-site measurements.

Membership inference attacks (MIAs) against machine learning models can lead to serious privacy risks for the training dataset used in the model training. In this paper, we propose a novel and effective Neuron-Guided Defense method named NeuGuard against membership inference attacks (MIAs). We identify a key weakness in existing defense mechanisms against MIAs wherein they cannot simultaneously defend against two commonly used neural network based MIAs, indicating that these two attacks should be separately evaluated to assure the defense effectiveness. We propose NeuGuard, a new defense approach that jointly controls the output and inner neurons' activation with the object to guide the model output of training set and testing set to have close distributions. NeuGuard consists of class-wise variance minimization targeting restricting the final output neurons and layer-wise balanced output control aiming to constrain the inner neurons in each layer. We evaluate NeuGuard and compare it with state-of-the-art defenses against two neural network based MIAs, five strongest metric based MIAs including the newly proposed label-only MIA on three benchmark datasets. Results show that NeuGuard outperforms the state-of-the-art defenses by offering much improved utility-privacy trade-off, generality, and overhead.

A critical problem in post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when. In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, SHAP, Occlusion, Vanilla Gradients, Gradients x Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods which demonstrates that no single method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks. By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared local function approximation objective, properties, and relation to one another, and (2) guides the use of these methods in practice, providing a principled approach to choose among methods and paving the way for the creation of new ones.

Sepsis is a deadly condition affecting many patients in the hospital. Recent studies have shown that patients diagnosed with sepsis have significant mortality and morbidity, resulting from the body's dysfunctional host response to infection. Clinicians often rely on the use of Sequential Organ Failure Assessment (SOFA), Systemic Inflammatory Response Syndrome (SIRS), and the Modified Early Warning Score (MEWS) to identify early signs of clinical deterioration requiring further work-up and treatment. However, many of these tools are manually computed and were not designed for automated computation. There have been different methods used for developing sepsis onset models, but many of these models must be trained on a sufficient number of patient observations in order to form accurate sepsis predictions. Additionally, the accurate annotation of patients with sepsis is a major ongoing challenge. In this paper, we propose the use of Active Learning Recurrent Neural Networks (ALRts) for short temporal horizons to improve the prediction of irregularly sampled temporal events such as sepsis. We show that an active learning RNN model trained on limited data can form robust sepsis predictions comparable to models using the entire training dataset.

Spiking neural networks (SNNs) have attracted much attention for their high energy efficiency and for recent advances in their classification performance. However, unlike traditional deep learning approaches, the analysis and study of the robustness of SNNs to adversarial examples remain relatively underdeveloped. In this work we focus on advancing the adversarial attack side of SNNs and make three major contributions. First, we show that successful white-box adversarial attacks on SNNs are highly dependent on the underlying surrogate gradient technique. Second, using the best surrogate gradient technique, we analyze the transferability of adversarial attacks on SNNs and other state-of-the-art architectures like Vision Transformers (ViTs) and Big Transfer Convolutional Neural Networks (CNNs). We demonstrate that SNNs are not often deceived by adversarial examples generated by Vision Transformers and certain types of CNNs. Third, due to the lack of an ubiquitous white-box attack that is effective across both the SNN and CNN/ViT domains, we develop a new white-box attack, the Auto Self-Attention Gradient Attack (Auto SAGA). Our novel attack generates adversarial examples capable of fooling both SNN models and non-SNN models simultaneously. Auto SAGA is as much as $87.9\%$ more effective on SNN/ViT model ensembles than conventional white-box attacks like PGD. Our experiments and analyses are broad and rigorous covering three datasets (CIFAR-10, CIFAR-100 and ImageNet), five different white-box attacks and nineteen different classifier models (seven for each CIFAR dataset and five different models for ImageNet).

The most useful data mining primitives are distance measures. With an effective distance measure, it is possible to perform classification, clustering, anomaly detection, segmentation, etc. For single-event time series Euclidean Distance and Dynamic Time Warping distance are known to be extremely effective. However, for time series containing cyclical behaviors, the semantic meaningfulness of such comparisons is less clear. For example, on two separate days the telemetry from an athlete workout routine might be very similar. The second day may change the order in of performing push-ups and squats, adding repetitions of pull-ups, or completely omitting dumbbell curls. Any of these minor changes would defeat existing time series distance measures. Some bag-of-features methods have been proposed to address this problem, but we argue that in many cases, similarity is intimately tied to the shapes of subsequences within these longer time series. In such cases, summative features will lack discrimination ability. In this work we introduce PRCIS, which stands for Pattern Representation Comparison in Series. PRCIS is a distance measure for long time series, which exploits recent progress in our ability to summarize time series with dictionaries. We will demonstrate the utility of our ideas on diverse tasks and datasets.

We study a class of dynamical systems modelled as Markov chains that admit an invariant distribution via the corresponding transfer, or Koopman, operator. While data-driven algorithms to reconstruct such operators are well known, their relationship with statistical learning is largely unexplored. We formalize a framework to learn the Koopman operator from finite data trajectories of the dynamical system. We consider the restriction of this operator to a reproducing kernel Hilbert space and introduce a notion of risk, from which different estimators naturally arise. We link the risk with the estimation of the spectral decomposition of the Koopman operator. These observations motivate a reduced-rank operator regression (RRR) estimator. We derive learning bounds for the proposed estimator, holding both in i.i.d. and non i.i.d. settings, the latter in terms of mixing coefficients. Our results suggest RRR might be beneficial over other widely used estimators as confirmed in numerical experiments both for forecasting and mode decomposition.

Motivated by the growing importance of reducing unfairness in ML predictions, Fair-ML researchers have presented an extensive suite of algorithmic 'fairness-enhancing' remedies. Most existing algorithms, however, are agnostic to the sources of the observed unfairness. As a result, the literature currently lacks guiding frameworks to specify conditions under which each algorithmic intervention can potentially alleviate the underpinning cause of unfairness. To close this gap, we scrutinize the underlying biases (e.g., in the training data or design choices) that cause observational unfairness. We present the conceptual idea and a first implementation of a bias-injection sandbox tool to investigate fairness consequences of various biases and assess the effectiveness of algorithmic remedies in the presence of specific types of bias. We call this process the bias(stress)-testing of algorithmic interventions. Unlike existing toolkits, ours provides a controlled environment to counterfactually inject biases in the ML pipeline. This stylized setup offers the distinct capability of testing fairness interventions beyond observational data and against an unbiased benchmark. In particular, we can test whether a given remedy can alleviate the injected bias by comparing the predictions resulting after the intervention in the biased setting with true labels in the unbiased regime-that is, before any bias injection. We illustrate the utility of our toolkit via a proof-of-concept case study on synthetic data. Our empirical analysis showcases the type of insights that can be obtained through our simulations.

An ideal music synthesizer should be both interactive and expressive, generating high-fidelity audio in realtime for arbitrary combinations of instruments and notes. Recent neural synthesizers have exhibited a tradeoff between domain-specific models that offer detailed control of only specific instruments, or raw waveform models that can train on any music but with minimal control and slow generation. In this work, we focus on a middle ground of neural synthesizers that can generate audio from MIDI sequences with arbitrary combinations of instruments in realtime. This enables training on a wide range of transcription datasets with a single model, which in turn offers note-level control of composition and instrumentation across a wide range of instruments. We use a simple two-stage process: MIDI to spectrograms with an encoder-decoder Transformer, then spectrograms to audio with a generative adversarial network (GAN) spectrogram inverter. We compare training the decoder as an autoregressive model and as a Denoising Diffusion Probabilistic Model (DDPM) and find that the DDPM approach is superior both qualitatively and as measured by audio reconstruction and Fr\'echet distance metrics. Given the interactivity and generality of this approach, we find this to be a promising first step towards interactive and expressive neural synthesis for arbitrary combinations of instruments and notes.

To be successful in single source domain generalization, maximizing diversity of synthesized domains has emerged as one of the most effective strategies. Many of the recent successes have come from methods that pre-specify the types of diversity that a model is exposed to during training, so that it can ultimately generalize well to new domains. However, na\"ive diversity based augmentations do not work effectively for domain generalization either because they cannot model large domain shift, or because the span of transforms that are pre-specified do not cover the types of shift commonly occurring in domain generalization. To address this issue, we present a novel framework that uses adversarially learned transformations (ALT) using a neural network to model plausible, yet hard image transformations that fool the classifier. This network is randomly initialized for each batch and trained for a fixed number of steps to maximize classification error. Further, we enforce consistency between the classifier's predictions on the clean and transformed images. With extensive empirical analysis, we find that this new form of adversarial transformations achieve both objectives of diversity and hardness simultaneously, outperforming all existing techniques on competitive benchmarks for single source domain generalization. We also show that ALT can naturally work with existing diversity modules to produce highly distinct, and large transformations of the source domain leading to state-of-the-art performance.

Some of the tightest information-theoretic generalization bounds depend on the average information between the learned hypothesis and a single training example. However, these sample-wise bounds were derived only for expected generalization gap. We show that even for expected squared generalization gap no such sample-wise information-theoretic bounds exist. The same is true for PAC-Bayes and single-draw bounds. Remarkably, PAC-Bayes, single-draw and expected squared generalization gap bounds that depend on information in pairs of examples exist.

There is a significant need for principled uncertainty reasoning in machine learning systems as they are increasingly deployed in safety-critical domains. A new approach with uncertainty-aware regression-based neural networks (NNs), based on learning evidential distributions for aleatoric and epistemic uncertainties, shows promise over traditional deterministic methods and typical Bayesian NNs, notably with the capabilities to disentangle aleatoric and epistemic uncertainties. Despite some empirical success of Deep Evidential Regression (DER), there are important gaps in the mathematical foundation that raise the question of why the proposed technique seemingly works. We detail the theoretical shortcomings and analyze the performance on synthetic and real-world data sets, showing that Deep Evidential Regression is a heuristic rather than an exact uncertainty quantification. We go on to propose corrections and redefinitions of how aleatoric and epistemic uncertainties should be extracted from NNs.

Breast tumor segmentation is one of the key steps that helps us characterize and localize tumor regions. However, variable tumor morphology, blurred boundary, and similar intensity distributions bring challenges for accurate segmentation of breast tumors. Recently, many U-net variants have been proposed and widely used for breast tumors segmentation. However, these architectures suffer from two limitations: (1) Ignoring the characterize ability of the benchmark networks, and (2) Introducing extra complex operations increases the difficulty of understanding and reproducing the network. To alleviate these challenges, this paper proposes a simple yet powerful nested U-net (NU-net) for accurate segmentation of breast tumors. The key idea is to utilize U-Nets with different depths and shared weights to achieve robust characterization of breast tumors. NU-net mainly has the following advantages: (1) Improving network adaptability and robustness to breast tumors with different scales, (2) This method is easy to reproduce and execute, and (3) The extra operations increase network parameters without significantly increasing computational cost. Extensive experimental results with twelve state-of-the-art segmentation methods on three public breast ultrasound datasets demonstrate that NU-net has more competitive segmentation performance on breast tumors. Furthermore, the robustness of NU-net is further illustrated on the segmentation of renal ultrasound images. The source code is publicly available on https://github.com/CGPzy/NU-net.

Sampling is ubiquitous in machine learning methodologies. Due to the growth of large datasets and model complexity, we want to learn and adapt the sampling process while training a representation. Towards achieving this grand goal, a variety of sampling techniques have been proposed. However, most of them either use a fixed sampling scheme or adjust the sampling scheme based on simple heuristics. They cannot choose the best sample for model training in different stages. Inspired by "Think, Fast and Slow" (System 1 and System 2) in cognitive science, we propose a reward-guided sampling strategy called Adaptive Sample with Reward (ASR) to tackle this challenge. To the best of our knowledge, this is the first work utilizing reinforcement learning (RL) to address the sampling problem in representation learning. Our approach optimally adjusts the sampling process to achieve optimal performance. We explore geographical relationships among samples by distance-based sampling to maximize overall cumulative reward. We apply ASR to the long-standing sampling problems in similarity-based loss functions. Empirical results in information retrieval and clustering demonstrate ASR's superb performance across different datasets. We also discuss an engrossing phenomenon which we name as "ASR gravity well" in experiments.

Earthquakes have a deep impact on wide areas, and emergency rescue operations may benefit from social media information about the scope and extent of the disaster. Therefore, this work presents a text miningbased approach to collect and analyze social media data for early earthquake impact analysis. First, disasterrelated microblogs are collected from the Sina microblog based on crawler technology. Then, after data cleaning a series of analyses are conducted including (1) the hot words analysis, (2) the trend of the number of microblogs, (3) the trend of public opinion sentiment, and (4) a keyword and rule-based text classification for earthquake impact analysis. Finally, two recent earthquakes with the same magnitude and focal depth in China are analyzed to compare their impacts. The results show that the public opinion trend analysis and the trend of public opinion sentiment can estimate the earthquake's social impact at an early stage, which will be helpful to decision-making and rescue management.

In this paper, we work on a sound recognition system that continually incorporates new sound classes. Our main goal is to develop a framework where the model can be updated without relying on labeled data. For this purpose, we propose adopting representation learning, where an encoder is trained using unlabeled data. This learning framework enables the study and implementation of a practically relevant use case where only a small amount of the labels is available in a continual learning context. We also make the empirical observation that a similarity-based representation learning method within this framework is robust to forgetting even if no explicit mechanism against forgetting is employed. We show that this approach obtains similar performance compared to several distillation-based continual learning methods when employed on self-supervised representation learning methods.

In this paper, we propose Wasserstein Isometric Mapping (Wassmap), a nonlinear dimensionality reduction technique that provides solutions to some drawbacks in existing global nonlinear dimensionality reduction algorithms in imaging applications. Wassmap represents images via probability measures in Wasserstein space, then uses pairwise Wasserstein distances between the associated measures to produce a low-dimensional, approximately isometric embedding. We show that the algorithm is able to exactly recover parameters of some image manifolds including those generated by translations or dilations of a fixed generating measure. Additionally, we show that a discrete version of the algorithm retrieves parameters from manifolds generated from discrete measures by providing a theoretical bridge to transfer recovery results from functional data to discrete data. Testing of the proposed algorithms on various image data manifolds show that Wassmap yields good embeddings compared with other global and local techniques.

The hydrodynamic performance of a sea-going ship varies over its lifespan due to factors like marine fouling and the condition of the anti-fouling paint system. In order to accurately estimate the power demand and fuel consumption for a planned voyage, it is important to assess the hydrodynamic performance of the ship. The current work uses machine-learning (ML) methods to estimate the hydrodynamic performance of a ship using the onboard recorded in-service data. Three ML methods, NL-PCR, NL-PLSR and probabilistic ANN, are calibrated using the data from two sister ships. The calibrated models are used to extract the varying trend in ship's hydrodynamic performance over time and predict the change in performance through several propeller and hull cleaning events. The predicted change in performance is compared with the corresponding values estimated using the fouling friction coefficient ($\Delta C_F$). The ML methods are found to be performing well while modelling the hydrodynamic state variables of the ships with probabilistic ANN model performing the best, but the results from NL-PCR and NL-PLSR are not far behind, indicating that it may be possible to use simple methods to solve such problems with the help of domain knowledge.

While data-driven predictive models are a strictly technological construct, they may operate within a social context in which benign engineering choices entail implicit, indirect and unexpected real-life consequences. Fairness of such systems -- pertaining both to individuals and groups -- is one relevant consideration in this space; it surfaces when data capture protected characteristics upon which people may be discriminated. To date, this notion has predominantly been studied for a fixed predictive model, often under different classification thresholds, striving to identify and eradicate undesirable, and possibly unlawful, aspects of its operation. Here, we backtrack on this assumption to propose and explore a novel definition of fairness where individuals can be harmed when one predictor is chosen ad hoc from a group of equally-well performing models, i.e., in view of utility-based model multiplicity. Since a person may be classified differently across models that are otherwise considered equivalent, this individual could argue for a predictor with the most favourable outcome, employing which may have adverse effects on others. We introduce this scenario with a two-dimensional example based on linear classification; then, we investigate its analytical properties in a broader context; and, finally, we present experimental results on data sets that are popular in fairness studies. Our findings suggest that such unfairness can be found in real-life situations and may be difficult to mitigate by technical means alone, as doing so degrades certain metrics of predictive performance.

Navigation is one of the most heavily studied problems in robotics, and is conventionally approached as a geometric mapping and planning problem. However, real-world navigation presents a complex set of physical challenges that defies simple geometric abstractions. Machine learning offers a promising way to go beyond geometry and conventional planning, allowing for navigational systems that make decisions based on actual prior experience. Such systems can reason about traversability in ways that go beyond geometry, accounting for the physical outcomes of their actions and exploiting patterns in real-world environments. They can also improve as more data is collected, potentially providing a powerful network effect. In this article, we present a general toolkit for experiential learning of robotic navigation skills that unifies several recent approaches, describe the underlying design principles, summarize experimental results from several of our recent papers, and discuss open problems and directions for future work.

Autonomous vehicle (AV) stacks are typically built in a modular fashion, with explicit components performing detection, tracking, prediction, planning, control, etc. While modularity improves reusability, interpretability, and generalizability, it also suffers from compounding errors, information bottlenecks, and integration challenges. To overcome these challenges, a prominent approach is to convert the AV stack into an end-to-end neural network and train it with data. While such approaches have achieved impressive results, they typically lack interpretability and reusability, and they eschew principled analytical components, such as planning and control, in favor of deep neural networks. To enable the joint optimization of AV stacks while retaining modularity, we present DiffStack, a differentiable and modular stack for prediction, planning, and control. Crucially, our model-based planning and control algorithms leverage recent advancements in differentiable optimization to produce gradients, enabling optimization of upstream components, such as prediction, via backpropagation through planning and control. Our results on the nuScenes dataset indicate that end-to-end training with DiffStack yields substantial improvements in open-loop and closed-loop planning metrics by, e.g., learning to make fewer prediction errors that would affect planning. Beyond these immediate benefits, DiffStack opens up new opportunities for fully data-driven yet modular and interpretable AV architectures. Project website: https://sites.google.com/view/diffstack

We present RAVEn, a self-supervised multi-modal approach to jointly learn visual and auditory speech representations. Our pre-training objective involves encoding masked inputs, and then predicting contextualised targets generated by slowly-evolving momentum encoders. Driven by the inherent differences between video and audio, our design is asymmetric w.r.t. the two modalities' pretext tasks: Whereas the auditory stream predicts both the visual and auditory targets, the visual one predicts only the auditory targets. We observe strong results in low- and high-resource labelled data settings when fine-tuning the visual and auditory encoders resulting from a single pre-training stage, in which the encoders are jointly trained. Notably, RAVEn surpasses all self-supervised methods on visual speech recognition (VSR) on LRS3, and combining RAVEn with self-training using only 30 hours of labelled data even outperforms a recent semi-supervised method trained on 90,000 hours of non-public data. At the same time, we achieve state-of-the-art results in the LRS3 low-resource setting for auditory speech recognition (as well as for VSR). Our findings point to the viability of learning powerful speech representations entirely from raw video and audio, i.e., without relying on handcrafted features. Code and models will be made public.

Multi-player multi-armed bandit is an increasingly relevant decision-making problem, motivated by applications to cognitive radio systems. Most research for this problem focuses exclusively on the settings that players have \textit{full access} to all arms and receive no reward when pulling the same arm. Hence all players solve the same bandit problem with the goal of maximizing their cumulative reward. However, these settings neglect several important factors in many real-world applications, where players have \textit{limited access} to \textit{a dynamic local subset of arms} (i.e., an arm could sometimes be ``walking'' and not accessible to the player). To this end, this paper proposes a \textit{multi-player multi-armed walking bandits} model, aiming to address aforementioned modeling issues. The goal now is to maximize the reward, however, players can only pull arms from the local subset and only collect a full reward if no other players pull the same arm. We adopt Upper Confidence Bound (UCB) to deal with the exploration-exploitation tradeoff and employ distributed optimization techniques to properly handle collisions. By carefully integrating these two techniques, we propose a decentralized algorithm with near-optimal guarantee on the regret, and can be easily implemented to obtain competitive empirical performance.

Evaluating the performance of an ongoing policy plays a vital role in many areas such as medicine and economics, to provide crucial instruction on the early-stop of the online experiment and timely feedback from the environment. Policy evaluation in online learning thus attracts increasing attention by inferring the mean outcome of the optimal policy (i.e., the value) in real-time. Yet, such a problem is particularly challenging due to the dependent data generated in the online environment, the unknown optimal policy, and the complex exploration and exploitation trade-off in the adaptive experiment. In this paper, we aim to overcome these difficulties in policy evaluation for online learning. We explicitly derive the probability of exploration that quantifies the probability of exploring the non-optimal actions under commonly used bandit algorithms. We use this probability to conduct valid inference on the online conditional mean estimator under each action and develop the doubly robust interval estimation (DREAM) method to infer the value under the estimated optimal policy in online learning. The proposed value estimator provides double protection on the consistency and is asymptotically normal with a Wald-type confidence interval provided. Extensive simulations and real data applications are conducted to demonstrate the empirical validity of the proposed DREAM method.

Optimization of directed acyclic graph (DAG) structures has many applications, such as neural architecture search (NAS) and probabilistic graphical model learning. Encoding DAGs into real vectors is a dominant component in most neural-network-based DAG optimization frameworks. Currently, most DAG encoders use an asynchronous message passing scheme which sequentially processes nodes according to the dependency between nodes in a DAG. That is, a node must not be processed until all its predecessors are processed. As a result, they are inherently not parallelizable. In this work, we propose a Parallelizable Attention-based Computation structure Encoder (PACE) that processes nodes simultaneously and encodes DAGs in parallel. We demonstrate the superiority of PACE through encoder-dependent optimization subroutines that search the optimal DAG structure based on the learned DAG embeddings. Experiments show that PACE not only improves the effectiveness over previous sequential DAG encoders with a significantly boosted training and inference speed, but also generates smooth latent (DAG encoding) spaces that are beneficial to downstream optimization subroutines. Our source code is available at \url{https://github.com/zehao-dong/PACE}

Despite the tremendous advances in machine learning (ML), training with imbalanced data still poses challenges in many real-world applications. Among a series of diverse techniques to solve this problem, sampling algorithms are regarded as an efficient solution. However, the problem is more fundamental, with many works emphasizing the importance of instance hardness. This issue refers to the significance of managing unsafe or potentially noisy instances that are more likely to be misclassified and serve as the root cause of poor classification performance. This paper introduces HardVis, a visual analytics system designed to handle instance hardness mainly in imbalanced classification scenarios. Our proposed system assists users in visually comparing different distributions of data types, selecting types of instances based on local characteristics that will later be affected by the active sampling method, and validating which suggestions from undersampling or oversampling techniques are beneficial for the ML model. Additionally, rather than uniformly undersampling/oversampling a specific class, we allow users to find and sample easy and difficult to classify training instances from all classes. Users can explore subsets of data from different perspectives to decide all those parameters, while HardVis keeps track of their steps and evaluates the model's predictive performance in a test set separately. The end result is a well-balanced data set that boosts the predictive power of the ML model. The efficacy and effectiveness of HardVis are demonstrated with a hypothetical usage scenario and a use case. Finally, we also look at how useful our system is based on feedback we received from ML experts.

Discovering new materials is a challenging task in materials science crucial to the progress of human society. Conventional approaches based on experiments and simulations are labor-intensive or costly with success heavily depending on experts' heuristic knowledge. Here, we propose a deep learning based Physics Guided Crystal Generative Model (PGCGM) for efficient crystal material design with high structural diversity and symmetry. Our model increases the generation validity by more than 700\% compared to FTCP, one of the latest structure generators and by more than 45\% compared to our previous CubicGAN model. Density Functional Theory (DFT) calculations are used to validate the generated structures with 1,869 materials out of 2,000 are successfully optimized and deposited into the Carolina Materials Database \url{www.carolinamatdb.org}, of which 39.6\% have negative formation energy and 5.3\% have energy-above-hull less than 0.25 eV/atom, indicating their thermodynamic stability and potential synthesizability.

Although understanding and characterizing causal effects have become essential in observational studies, it is challenging when the confounders are high-dimensional. In this article, we develop a general framework $\textit{CausalEGM}$ for estimating causal effects by encoding generative modeling, which can be applied in both binary and continuous treatment settings. Under the potential outcome framework with unconfoundedness, we establish a bidirectional transformation between the high-dimensional confounders space and a low-dimensional latent space where the density is known (e.g., multivariate normal distribution). Through this, CausalEGM simultaneously decouples the dependencies of confounders on both treatment and outcome and maps the confounders to the low-dimensional latent space. By conditioning on the low-dimensional latent features, CausalEGM can estimate the causal effect for each individual or the average causal effect within a population. Our theoretical analysis shows that the excess risk for CausalEGM can be bounded through empirical process theory. Under an assumption on encoder-decoder networks, the consistency of the estimate can be guaranteed. In a series of experiments, CausalEGM demonstrates superior performance over existing methods for both binary and continuous treatments. Specifically, we find CausalEGM to be substantially more powerful than competing methods in the presence of large sample sizes and high dimensional confounders. The software of CausalEGM is freely available at https://github.com/SUwonglab/CausalEGM.

In this work, we consider the problem of learning a feed-forward neural network controller to safely steer an arbitrarily shaped planar robot in a compact and obstacle-occluded workspace. Unlike existing methods that depend strongly on the density of data points close to the boundary of the safe state space to train neural network controllers with closed-loop safety guarantees, here we propose an alternative approach that lifts such strong assumptions on the data that are hard to satisfy in practice and instead allows for graceful safety violations, i.e., of a bounded magnitude that can be spatially controlled. To do so, we employ reachability analysis techniques to encapsulate safety constraints in the training process. Specifically, to obtain a computationally efficient over-approximation of the forward reachable set of the closed-loop system, we partition the robot's state space into cells and adaptively subdivide the cells that contain states which may escape the safe set under the trained control law. Then, using the overlap between each cell's forward reachable set and the set of infeasible robot configurations as a measure for safety violations, we introduce appropriate terms into the loss function that penalize this overlap in the training process. As a result, our method can learn a safe vector field for the closed-loop system and, at the same time, provide worst-case bounds on safety violation over the whole configuration space, defined by the overlap between the over-approximation of the forward reachable set of the closed-loop system and the set of unsafe states. Moreover, it can control the tradeoff between computational complexity and tightness of these bounds. Our proposed method is supported by both theoretical results and simulation studies.

Online advertising has recently grown into a highly competitive and complex multi-billion-dollar industry, with advertisers bidding for ad slots at large scales and high frequencies. This has resulted in a growing need for efficient "auto-bidding" algorithms that determine the bids for incoming queries to maximize advertisers' targets subject to their specified constraints. This work explores efficient online algorithms for a single value-maximizing advertiser under an increasingly popular constraint: Return-on-Spend (RoS). We quantify efficiency in terms of regret relative to the optimal algorithm, which knows all queries a priori. We contribute a simple online algorithm that achieves near-optimal regret in expectation while always respecting the specified RoS constraint when the input sequence of queries are i.i.d. samples from some distribution. We also integrate our results with the previous work of Balseiro, Lu, and Mirrokni [BLM20] to achieve near-optimal regret while respecting both RoS and fixed budget constraints. Our algorithm follows the primal-dual framework and uses online mirror descent (OMD) for the dual updates. However, we need to use a non-canonical setup of OMD, and therefore the classic low-regret guarantee of OMD, which is for the adversarial setting in online learning, no longer holds. Nonetheless, in our case and more generally where low-regret dynamics are applied in algorithm design, the gradients encountered by OMD can be far from adversarial but influenced by our algorithmic choices. We exploit this key insight to show our OMD setup achieves low regret in the realm of our algorithm.

Hyperparameter optimization (HPO) is essential for the better performance of deep learning, and practitioners often need to consider the trade-off between multiple metrics, such as error rate, latency, memory requirements, robustness, and algorithmic fairness. Due to this demand and the heavy computation of deep learning, the acceleration of multi-objective (MO) optimization becomes ever more important. Although meta-learning has been extensively studied to speedup HPO, existing methods are not applicable to the MO tree-structured parzen estimator (MO-TPE), a simple yet powerful MO-HPO algorithm. In this paper, we extend TPE's acquisition function to the meta-learning setting, using a task similarity defined by the overlap in promising domains of each task. In a comprehensive set of experiments, we demonstrate that our method accelerates MO-TPE on tabular HPO benchmarks and yields state-of-the-art performance. Our method was also validated externally by winning the AutoML 2022 competition on "Multiobjective Hyperparameter Optimization for Transformers".

Event cameras are novel bio-inspired sensors that measure per-pixel brightness differences asynchronously. Recovering brightness from events is appealing since the reconstructed images inherit the high dynamic range (HDR) and high-speed properties of events; hence they can be used in many robotic vision applications and to generate slow-motion HDR videos. However, state-of-the-art methods tackle this problem by training an event-to-image Recurrent Neural Network (RNN), which lacks explainability and is difficult to tune. In this work we show, for the first time, how tackling the combined problem of motion and brightness estimation leads us to formulate event-based image reconstruction as a linear inverse problem that can be solved without training an image reconstruction RNN. Instead, classical and learning-based regularizers are used to solve the problem and remove artifacts from the reconstructed images. The experiments show that the proposed approach generates images with visual quality on par with state-of-the-art methods despite only using data from a short time interval. State-of-the-art results are achieved using an image denoising Convolutional Neural Network (CNN) as the regularization function. The proposed regularized formulation and solvers have a unifying character because they can be applied also to reconstruct brightness from the second derivative. Additionally, the formulation is attractive because it can be naturally combined with super-resolution, motion-segmentation and color demosaicing. Code is available at https://github.com/tub-rip/event_based_image_rec_inverse_problem

The sparse representation of graphs has shown its great potential for accelerating the computation of graph applications (e.g., Social Networks, Knowledge Graphs) on traditional computing architectures (CPU, GPU, or TPU). But the exploration of large-scale sparse graph computing on processing-in-memory (PIM) platforms (typically with memristive crossbars) is still in its infancy. To implement the computation or storage of large-scale or batch graphs on memristive crossbars, a natural assumption is that a large-scale crossbar is demanded, but with low utilization. Some recent works question this assumption, to avoid the waste of storage and computational resource, the fixed-size or progressively scheduled ``block partition'' schemes are proposed. But these methods are coarse-grained or static, and are not effectively sparsity-aware. This work proposes the dynamic sparsity-aware mapping scheme generating method that models the problem as a sequential decision-making problem which is optimized by reinforcement learning (RL) algorithm (REINFORCE). Our generating model (LSTM, combined with the dynamic-fill mechanism) generates remarkable mapping performance on a small-scale typical graph/matrix data (complete mapping costs 43% area of the original matrix) and two large-scale matrix data (costing 22.5% area on qh882 and 17.1% area on qh1484). Our method may be extended to sparse graph computing on other PIM architectures, not limited to the memristive device-based platforms.

Many real-world problems are inherently multimodal, from the communicative modalities humans use to express social and emotional states to the force, proprioception, and visual sensors ubiquitous on robots. While there has been an explosion of interest in multimodal representation learning, these methods are still largely focused on a small set of modalities, primarily in the language, vision, and audio space. In order to accelerate generalization towards diverse and understudied modalities, this paper studies efficient representation learning for high-modality scenarios. Since adding new models for every new modality or task becomes prohibitively expensive, a critical technical challenge is heterogeneity quantification: how can we measure which modalities encode similar information and interactions in order to permit parameter sharing with previous modalities? We propose two new information-theoretic metrics for heterogeneity quantification: (1) modality heterogeneity studies how similar 2 modalities $\{X_1,X_2\}$ are by measuring how much information can be transferred from $X_1$ to $X_2$, while (2) interaction heterogeneity studies how similarly pairs of modalities $\{X_1,X_2\}, \{X_3,X_4\}$ interact by measuring how much interaction information can be transferred from $\{X_1,X_2\}$ to $\{X_3,X_4\}$. We show the importance of these proposed metrics in high-modality scenarios as a way to automatically prioritize the fusion of modalities that contain unique information or interactions. The result is a single model, HighMMT, that scales up to $10$ modalities and $15$ tasks from $5$ different research areas. Not only does HighMMT outperform prior methods on the tradeoff between performance and efficiency, it also demonstrates a crucial scaling behavior: performance continues to improve with each modality added, and transfers to entirely new modalities and tasks during fine-tuning.

A recent line of work has shown remarkable behaviors of the generalization error curves in simple learning models. Even the least-squares regression has shown atypical features such as the model-wise double descent, and further works have observed triple or multiple descents. Another important characteristic are the epoch-wise descent structures which emerge during training. The observations of model-wise and epoch-wise descents have been analytically derived in limited theoretical settings (such as the random feature model) and are otherwise experimental. In this work, we provide a full and unified analysis of the whole time-evolution of the generalization curve, in the asymptotic large-dimensional regime and under gradient-flow, within a wider theoretical setting stemming from a gaussian covariate model. In particular, we cover most cases already disparately observed in the literature, and also provide examples of the existence of multiple descent structures as a function of a model parameter or time. Furthermore, we show that our theoretical predictions adequately match the learning curves obtained by gradient descent over realistic datasets. Technically we compute averages of rational expressions involving random matrices using recent developments in random matrix theory based on "linear pencils". Another contribution, which is also of independent interest in random matrix theory, is a new derivation of related fixed point equations (and an extension there-off) using Dyson brownian motions.

The problem of answering questions using knowledge from pre-trained language models (LMs) and knowledge graphs (KGs) presents two challenges: given a QA context (question and answer choice), methods need to (i) identify relevant knowledge from large KGs, and (ii) perform joint reasoning over the QA context and KG. In this work, we propose a new model, QA-GNN, which addresses the above challenges through two key innovations: (i) relevance scoring, where we use LMs to estimate the importance of KG nodes relative to the given QA context, and (ii) joint reasoning, where we connect the QA context and KG to form a joint graph, and mutually update their representations through graph neural networks. We evaluate our model on QA benchmarks in the commonsense (CommonsenseQA, OpenBookQA) and biomedical (MedQA-USMLE) domains. QA-GNN outperforms existing LM and LM+KG models, and exhibits capabilities to perform interpretable and structured reasoning, e.g., correctly handling negation in questions.

Today, recommender systems have played an increasingly important role in shaping our experiences of digital environments and social interactions. However, as recommender systems become ubiquitous in our society, recent years have also witnessed significant fairness concerns for recommender systems. Specifically, studies have shown that recommender systems may inherit or even amplify biases from historical data, and as a result, provide unfair recommendations. To address fairness risks in recommender systems, most of the previous approaches to date are focused on modifying either the existing training data samples or the deployed recommender algorithms, but unfortunately with limited degrees of success. In this paper, we propose a new approach called fair recommendation with optimized antidote data (FairRoad), which aims to improve the fairness performances of recommender systems through the construction of a small and carefully crafted antidote dataset. Toward this end, we formulate our antidote data generation task as a mathematical optimization problem, which minimizes the unfairness of the targeted recommender systems while not disrupting the deployed recommendation algorithms. Extensive experiments show that our proposed antidote data generation algorithm significantly improve the fairness of recommender systems with a small amounts of antidote data.

Leveraging well-established MCMC strategies, we propose MCMC-interactive variational inference (MIVI) to not only estimate the posterior in a time constrained manner, but also facilitate the design of MCMC transitions. Constructing a variational distribution followed by a short Markov chain that has parameters to learn, MIVI takes advantage of the complementary properties of variational inference and MCMC to encourage mutual improvement. On one hand, with the variational distribution locating high posterior density regions, the Markov chain is optimized within the variational inference framework to efficiently target the posterior despite a small number of transitions. On the other hand, the optimized Markov chain with considerable flexibility guides the variational distribution towards the posterior and alleviates its underestimation of uncertainty. Furthermore, we prove the optimized Markov chain in MIVI admits extrapolation, which means its marginal distribution gets closer to the true posterior as the chain grows. Therefore, the Markov chain can be used separately as an efficient MCMC scheme. Experiments show that MIVI not only accurately and efficiently approximates the posteriors but also facilitates designs of stochastic gradient MCMC and Gibbs sampling transitions.

Knowledge graphs contain rich knowledge about various entities and the relational information among them, while temporal knowledge graphs (TKGs) describe and model the interactions of the entities over time. In this context, automatic temporal knowledge graph completion (TKGC) has gained great interest. Recent TKGC methods integrate advanced deep learning techniques, e.g., Transformers, and achieve superior model performance. However, this also introduces a large number of excessive parameters, which brings a heavier burden for parameter optimization. In this paper, we propose a simple but powerful graph encoder for TKGC, called TARGCN. TARGCN is parameter-efficient, and it extensively explores every entity's temporal context for learning contextualized representations. We find that instead of adopting various kinds of complex modules, it is more beneficial to efficiently capture the temporal contexts of entities. We experiment TARGCN on three benchmark datasets. Our model can achieve a more than 46% relative improvement on the GDELT dataset compared with state-of-the-art TKGC models. Meanwhile, it outperforms the strongest baseline on the ICEWS05-15 dataset with around 18% fewer parameters.

Convolutional Neural Networks (CNNs) with U-shaped architectures have dominated medical image segmentation, which is crucial for various clinical purposes. However, the inherent locality of convolution makes CNNs fail to fully exploit global context, essential for better recognition of some structures, e.g., brain lesions. Transformers have recently proven promising performance on vision tasks, including semantic segmentation, mainly due to their capability of modeling long-range dependencies. Nevertheless, the quadratic complexity of attention makes existing Transformer-based models use self-attention layers only after somehow reducing the image resolution, which limits the ability to capture global contexts present at higher resolutions. Therefore, this work introduces a family of models, dubbed Factorizer, which leverages the power of low-rank matrix factorization for constructing an end-to-end segmentation model. Specifically, we propose a linearly scalable approach to context modeling, formulating Nonnegative Matrix Factorization (NMF) as a differentiable layer integrated into a U-shaped architecture. The shifted window technique is also utilized in combination with NMF to effectively aggregate local information. Factorizers compete favorably with CNNs and Transformers in terms of accuracy, scalability, and interpretability, achieving state-of-the-art results on the BraTS dataset for brain tumor segmentation and ISLES'22 dataset for stroke lesion segmentation. Highly meaningful NMF components give an additional interpretability advantage to Factorizers over CNNs and Transformers. Moreover, our ablation studies reveal a distinctive feature of Factorizers that enables a significant speed-up in inference for a trained Factorizer without any extra steps and without sacrificing much accuracy. The code and models are publicly available at https://github.com/pashtari/factorizer.

In consequential decision-making applications, mitigating unwanted biases in machine learning models that yield systematic disadvantage to members of groups delineated by sensitive attributes such as race and gender is one key intervention to strive for equity. Focusing on demographic parity and equality of opportunity, in this paper we propose an algorithm that improves the fairness of a pre-trained classifier by simply dropping carefully selected training data points. We select instances based on their influence on the fairness metric of interest, computed using an infinitesimal jackknife-based approach. The dropping of training points is done in principle, but in practice does not require the model to be refit. Crucially, we find that such an intervention does not substantially reduce the predictive performance of the model but drastically improves the fairness metric. Through careful experiments, we evaluate the effectiveness of the proposed approach on diverse tasks and find that it consistently improves upon existing alternatives.

By transferring knowledge from large, diverse, task-agnostic datasets, modern machine learning models can solve specific downstream tasks either zero-shot or with small task-specific datasets to a high level of performance. While this capability has been demonstrated in other fields such as computer vision, natural language processing or speech recognition, it remains to be shown in robotics, where the generalization capabilities of the models are particularly critical due to the difficulty of collecting real-world robotic data. We argue that one of the keys to the success of such general robotic models lies with open-ended task-agnostic training, combined with high-capacity architectures that can absorb all of the diverse, robotic data. In this paper, we present a model class, dubbed Robotics Transformer, that exhibits promising scalable model properties. We verify our conclusions in a study of different model classes and their ability to generalize as a function of the data size, model size, and data diversity based on a large-scale data collection on real robots performing real-world tasks. The project's website and videos can be found at robotics-transformer.github.io

Software engineers working with the same programming language (PL) may speak different natural languages (NLs) and vice versa, erecting huge barriers to communication and working efficiency. Recent studies have demonstrated the effectiveness of generative pre-training in computer programs, yet they are always English-centric. In this work, we step towards bridging the gap between multilingual NLs and multilingual PLs for large language models (LLMs). We release ERNIE-Code, a unified pre-trained language model for 116 NLs and 6 PLs. We employ two methods for universal cross-lingual pre-training: span-corruption language modeling that learns patterns from monolingual NL or PL; and pivot-based translation language modeling that relies on parallel data of many NLs and PLs. Extensive results show that ERNIE-Code outperforms previous multilingual LLMs for PL or NL across a wide range of end tasks of code intelligence, including multilingual code-to-text, text-to-code, code-to-code, and text-to-text generation. We further show its advantage of zero-shot prompting on multilingual code summarization and text-to-text translation. We will make our code and pre-trained models publicly available.

The automated machine learning (AutoML) field has become increasingly relevant in recent years. These algorithms can develop models without the need for expert knowledge, facilitating the application of machine learning techniques in the industry. Neural Architecture Search (NAS) exploits deep learning techniques to autonomously produce neural network architectures whose results rival the state-of-the-art models hand-crafted by AI experts. However, this approach requires significant computational resources and hardware investments, making it less appealing for real-usage applications. This article presents the third version of Pareto-Optimal Progressive Neural Architecture Search (POPNASv3), a new sequential model-based optimization NAS algorithm targeting different hardware environments and multiple classification tasks. Our method is able to find competitive architectures within large search spaces, while keeping a flexible structure and data processing pipeline to adapt to different tasks. The algorithm employs Pareto optimality to reduce the number of architectures sampled during the search, drastically improving the time efficiency without loss in accuracy. The experiments performed on images and time series classification datasets provide evidence that POPNASv3 can explore a large set of assorted operators and converge to optimal architectures suited for the type of data provided under different scenarios.

Continuous long-term monitoring of motor health is crucial for the early detection of abnormalities such as bearing faults (up to 51% of motor failures are attributed to bearing faults). Despite numerous methodologies proposed for bearing fault detection, most of them require normal (healthy) and abnormal (faulty) data for training. Even with the recent deep learning (DL) methodologies trained on the labeled data from the same machine, the classification accuracy significantly deteriorates when one or few conditions are altered. Furthermore, their performance suffers significantly or may entirely fail when they are tested on another machine with entirely different healthy and faulty signal patterns. To address this need, in this pilot study, we propose a zero-shot bearing fault detection method that can detect any fault on a new (target) machine regardless of the working conditions, sensor parameters, or fault characteristics. To accomplish this objective, a 1D Operational Generative Adversarial Network (Op-GAN) first characterizes the transition between normal and fault vibration signals of (a) source machine(s) under various conditions, sensor parameters, and fault types. Then for a target machine, the potential faulty signals can be generated, and over its actual healthy and synthesized faulty signals, a compact, and lightweight 1D Self-ONN fault detector can then be trained to detect the real faulty condition in real time whenever it occurs. To validate the proposed approach, a new benchmark dataset is created using two different motors working under different conditions and sensor locations. Experimental results demonstrate that this novel approach can accurately detect any bearing fault achieving an average recall rate of around 89% and 95% on two target machines regardless of its type, severity, and location.

Accurate PhotoVoltaic (PV) power generation forecasting is vital for the efficient operation of Smart Grids. The automated design of such accurate forecasting models for individual PV plants includes two challenges: First, information about the PV mounting configuration (i.e. inclination and azimuth angles) is often missing. Second, for new PV plants, the amount of historical data available to train a forecasting model is limited (cold-start problem). We address these two challenges by proposing a new method for day-ahead PV power generation forecasts called AutoPV. AutoPV is a weighted ensemble of forecasting models that represent different PV mounting configurations. This representation is achieved by pre-training each forecasting model on a separate PV plant and by scaling the model's output with the peak power rating of the corresponding PV plant. To tackle the cold-start problem, we initially weight each forecasting model in the ensemble equally. To tackle the problem of missing information about the PV mounting configuration, we use new data that become available during operation to adapt the ensemble weights to minimize the forecasting error. AutoPV is advantageous as the unknown PV mounting configuration is implicitly reflected in the ensemble weights, and only the PV plant's peak power rating is required to re-scale the ensemble's output. AutoPV also allows to represent PV plants with panels distributed on different roofs with varying alignments, as these mounting configurations can be reflected proportionally in the weighting. Additionally, the required computing memory is decoupled when scaling AutoPV to hundreds of PV plants, which is beneficial in Smart Grids with limited computing capabilities. For a real-world data set with 11 PV plants, the accuracy of AutoPV is comparable to a model trained on two years of data and outperforms an incrementally trained model.

Transformers are responsible for the vast majority of recent advances in natural language processing. The majority of practical natural language processing applications of these models are typically enabled through transfer learning. This paper studies if corpus-specific tokenization used for fine-tuning improves the resulting performance of the model. Through a series of experiments, we demonstrate that such tokenization combined with the initialization and fine-tuning strategy for the vocabulary tokens speeds up the transfer and boosts the performance of the fine-tuned model. We call this aspect of transfer facilitation vocabulary transfer.

In time series forecasting, decomposition-based algorithms break aggregate data into meaningful components and are therefore appreciated for their particular advantages in interpretability. Recent algorithms often combine machine learning (hereafter ML) methodology with decomposition to improve prediction accuracy. However, incorporating ML is generally considered to sacrifice interpretability inevitably. In addition, existing hybrid algorithms usually rely on theoretical models with statistical assumptions and focus only on the accuracy of aggregate predictions, and thus suffer from accuracy problems, especially in component estimates. In response to the above issues, this research explores the possibility of improving accuracy without losing interpretability in time series forecasting. We first quantitatively define interpretability for data-driven forecasts and systematically review the existing forecasting algorithms from the perspective of interpretability. Accordingly, we propose the W-R algorithm, a hybrid algorithm that combines decomposition and ML from a novel perspective. Specifically, the W-R algorithm replaces the standard additive combination function with a weighted variant and uses ML to modify the estimates of all components simultaneously. We mathematically analyze the theoretical basis of the algorithm and validate its performance through extensive numerical experiments. In general, the W-R algorithm outperforms all decomposition-based and ML benchmarks. Based on P50_QL, the algorithm relatively improves by 8.76% in accuracy on the practical sales forecasts of JD.com and 77.99% on a public dataset of electricity loads. This research offers an innovative perspective to combine the statistical and ML algorithms, and JD.com has implemented the W-R algorithm to make accurate sales predictions and guide its marketing activities.

State-of-the-art image and text classification models, such as Convectional Neural Networks and Transformers, have long been able to classify their respective unimodal reasoning satisfactorily with accuracy close to or exceeding human accuracy. However, images embedded with text, such as hateful memes, are hard to classify using unimodal reasoning when difficult examples, such as benign confounders, are incorporated into the data set. We attempt to generate more labeled memes in addition to the Hateful Memes data set from Facebook AI, based on the framework of a winning team from the Hateful Meme Challenge. To increase the number of labeled memes, we explore semi-supervised learning using pseudo-labels for newly introduced, unlabeled memes gathered from the Memotion Dataset 7K. We find that the semi-supervised learning task on unlabeled data required human intervention and filtering and that adding a limited amount of new data yields no extra classification performance.

Patch-based models, e.g., Vision Transformers (ViTs) and Mixers, have shown impressive results on various visual recognition tasks, alternating classic convolutional networks. While the initial patch-based models (ViTs) treated all patches equally, recent studies reveal that incorporating inductive bias like spatiality benefits the representations. However, most prior works solely focused on the location of patches, overlooking the scene structure of images. Thus, we aim to further guide the interaction of patches using the object information. Specifically, we propose OAMixer (object-aware mixing layer), which calibrates the patch mixing layers of patch-based models based on the object labels. Here, we obtain the object labels in unsupervised or weakly-supervised manners, i.e., no additional human-annotating cost is necessary. Using the object labels, OAMixer computes a reweighting mask with a learnable scale parameter that intensifies the interaction of patches containing similar objects and applies the mask to the patch mixing layers. By learning an object-centric representation, we demonstrate that OAMixer improves the classification accuracy and background robustness of various patch-based models, including ViTs, MLP-Mixers, and ConvMixers. Moreover, we show that OAMixer enhances various downstream tasks, including large-scale classification, self-supervised learning, and multi-object recognition, verifying the generic applicability of OAMixer

The development and adoption of artificial intelligence (AI) technologies in space applications is growing quickly as the consensus increases on the potential benefits introduced. As more and more aerospace engineers are becoming aware of new trends in AI, traditional approaches are revisited to consider the applications of emerging AI technologies. Already at the time of writing, the scope of AI-related activities across academia, the aerospace industry and space agencies is so wide that an in-depth review would not fit in these pages. In this chapter we focus instead on two main emerging trends we believe capture the most relevant and exciting activities in the field: differentiable intelligence and on-board machine learning. Differentiable intelligence, in a nutshell, refers to works making extensive use of automatic differentiation frameworks to learn the parameters of machine learning or related models. Onboard machine learning considers the problem of moving inference, as well as learning, onboard. Within these fields, we discuss a few selected projects originating from the European Space Agency's (ESA) Advanced Concepts Team (ACT), giving priority to advanced topics going beyond the transposition of established AI techniques and practices to the space domain.

Existing deep learning-based traffic forecasting models are mainly trained with MSE (or MAE) as the loss function, assuming that residuals/errors follow independent and isotropic Gaussian (or Laplacian) distribution for simplicity. However, this assumption rarely holds for real-world traffic forecasting tasks, where the unexplained residuals are often correlated in both space and time. In this study, we propose Spatiotemporal Residual Regularization by modeling residuals with a dynamic (e.g., time-varying) mixture of zero-mean multivariate Gaussian distribution with learnable spatiotemporal covariance matrices. This approach allows us to directly capture spatiotemporally correlated residuals. For scalability, we model the spatiotemporal covariance for each mixture component using a Kronecker product structure, which significantly reduces the number of parameters and computation complexity. We evaluate the performance of the proposed method on a traffic speed forecasting task. Our results show that, by properly modeling residual distribution, the proposed method not only improves the model performance but also provides interpretable structures.

In this paper, we study the effect of a novel regularization scheme on contrastive language-image pre-trained (CLIP) models. Our approach is based on the observation that, in many domains, text tokens should only describe a small number of image regions and, likewise, each image region should correspond to only a few text tokens. In CLIP-style models, this implies that text-token embeddings should have high similarity to only a small number of image-patch embeddings for a given image-text pair. We formalize this observation using a novel regularization scheme that penalizes the entropy of the text-token to image-patch similarity scores. We qualitatively and quantitatively demonstrate that the proposed regularization scheme shrinks the text-token and image-patch similarity scores towards zero, thus achieving the desired effect. We demonstrate the promise of our approach in an important medical context where this underlying hypothesis naturally arises. Using our proposed approach, we achieve state of the art (SOTA) zero-shot performance on all tasks from the CheXpert chest x-ray dataset, outperforming an unregularized version of the model and several recently published self-supervised models.

The dissemination of hateful memes online has adverse effects on social media platforms and the real world. Detecting hateful memes is challenging, one of the reasons being the evolutionary nature of memes; new hateful memes can emerge by fusing hateful connotations with other cultural ideas or symbols. In this paper, we propose a framework that leverages multimodal contrastive learning models, in particular OpenAI's CLIP, to identify targets of hateful content and systematically investigate the evolution of hateful memes. We find that semantic regularities exist in CLIP-generated embeddings that describe semantic relationships within the same modality (images) or across modalities (images and text). Leveraging this property, we study how hateful memes are created by combining visual elements from multiple images or fusing textual information with a hateful image. We demonstrate the capabilities of our framework for analyzing the evolution of hateful memes by focusing on antisemitic memes, particularly the Happy Merchant meme. Using our framework on a dataset extracted from 4chan, we find 3.3K variants of the Happy Merchant meme, with some linked to specific countries, persons, or organizations. We envision that our framework can be used to aid human moderators by flagging new variants of hateful memes so that moderators can manually verify them and mitigate the problem of hateful content online.

Both clustering and outlier detection play an important role for meteorological measurements. We present the AWT algorithm, a clustering algorithm for time series data that also performs implicit outlier detection during the clustering. AWT integrates ideas of several well-known K-Means clustering algorithms. It chooses the number of clusters automatically based on a user-defined threshold parameter, and it can be used for heterogeneous meteorological input data as well as for data sets that exceed the available memory size. We apply AWT to crowd sourced 2-m temperature data with an hourly resolution from the city of Vienna to detect outliers and to investigate if the final clusters show general similarities and similarities with urban land-use characteristics. It is shown that both the outlier detection and the implicit mapping to land-use characteristic is possible with AWT which opens new possible fields of application, specifically in the rapidly evolving field of urban climate and urban weather.

This research revisits the classic Turing test and compares recent large language models such as ChatGPT for their abilities to reproduce human-level comprehension and compelling text generation. Two task challenges -- summarization, and question answering -- prompt ChatGPT to produce original content (98-99%) from a single text entry and also sequential questions originally posed by Turing in 1950. The question of a machine fooling a human judge recedes in this work relative to the question of "how would one prove it?" The original contribution of the work presents a metric and simple grammatical set for understanding the writing mechanics of chatbots in evaluating their readability and statistical clarity, engagement, delivery, and overall quality. While Turing's original prose scores at least 14% below the machine-generated output, the question of whether an algorithm displays hints of Turing's truly original thoughts (the "Lovelace 2.0" test) remains unanswered and potentially unanswerable for now.

Sunquakes are seismic emissions visible on the solar surface, associated with some solar flares. Although discovered in 1998, they have only recently become a more commonly detected phenomenon. Despite the availability of several manual detection guidelines, to our knowledge, the astrophysical data produced for sunquakes is new to the field of Machine Learning. Detecting sunquakes is a daunting task for human operators and this work aims to ease and, if possible, to improve their detection. Thus, we introduce a dataset constructed from acoustic egression-power maps of solar active regions obtained for Solar Cycles 23 and 24 using the holography method. We then present a pedagogical approach to the application of machine learning representation methods for sunquake detection using AutoEncoders, Contrastive Learning, Object Detection and recurrent techniques, which we enhance by introducing several custom domain-specific data augmentation transformations. We address the main challenges of the automated sunquake detection task, namely the very high noise patterns in and outside the active region shadow and the extreme class imbalance given by the limited number of frames that present sunquake signatures. With our trained models, we find temporal and spatial locations of peculiar acoustic emission and qualitatively associate them to eruptive and high energy emission. While noting that these models are still in a prototype stage and there is much room for improvement in metrics and bias levels, we hypothesize that their agreement on example use cases has the potential to enable detection of weak solar acoustic manifestations.

Semantic communication (SemCom) and edge computing are two disruptive solutions to address emerging requirements of huge data communication, bandwidth efficiency and low latency data processing in Metaverse. However, edge computing resources are often provided by computing service providers and thus it is essential to design appealingly incentive mechanisms for the provision of limited resources. Deep learning (DL)- based auction has recently proposed as an incentive mechanism that maximizes the revenue while holding important economic properties, i.e., individual rationality and incentive compatibility. Therefore, in this work, we introduce the design of the DLbased auction for the computing resource allocation in SemComenabled Metaverse. First, we briefly introduce the fundamentals and challenges of Metaverse. Second, we present the preliminaries of SemCom and edge computing. Third, we review various incentive mechanisms for edge computing resource trading. Fourth, we present the design of the DL-based auction for edge resource allocation in SemCom-enabled Metaverse. Simulation results demonstrate that the DL-based auction improves the revenue while nearly satisfying the individual rationality and incentive compatibility constraints.

Climate change, population growth, and water scarcity present unprecedented challenges for agriculture. This project aims to forecast soil moisture using domain knowledge and machine learning for crop management decisions that enable sustainable farming. Traditional methods for predicting hydrological response features require significant computational time and expertise. Recent work has implemented machine learning models as a tool for forecasting hydrological response features, but these models neglect a crucial component of traditional hydrological modeling that spatially close units can have vastly different hydrological responses. In traditional hydrological modeling, units with similar hydrological properties are grouped together and share model parameters regardless of their spatial proximity. Inspired by this domain knowledge, we have constructed a novel domain-inspired temporal graph convolution neural network. Our approach involves clustering units based on time-varying hydrological properties, constructing graph topologies for each cluster, and forecasting soil moisture using graph convolutions and a gated recurrent neural network. We have trained, validated, and tested our method on field-scale time series data consisting of approximately 99,000 hydrological response units spanning 40 years in a case study in northeastern United States. Comparison with existing models illustrates the effectiveness of using domain-inspired clustering with time series graph neural networks. The framework is being deployed as part of a pro bono social impact program. The trained models are being deployed on small-holding farms in central Texas.

Many speech applications require understanding aspects beyond the words being spoken, such as recognizing emotion, detecting whether the speaker is wearing a mask, or distinguishing real from synthetic speech. In this work, we introduce a new state-of-the-art paralinguistic representation derived from large-scale, fully self-supervised training of a 600M+ parameter Conformer-based architecture. We benchmark on a diverse set of speech tasks and demonstrate that simple linear classifiers trained on top of our time-averaged representation outperform nearly all previous results, in some cases by large margins. Our analyses of context-window size demonstrate that, surprisingly, 2 second context-windows achieve 96\% the performance of the Conformers that use the full long-term context on 7 out of 9 tasks. Furthermore, while the best per-task representations are extracted internally in the network, stable performance across several layers allows a single universal representation to reach near optimal performance on all tasks.

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on intermediate variables such as the potential energy or force fields to update atomic positions, which requires additional computations to perform back-propagation. To waive this requirement, we propose a novel model called DiffMD by directly estimating the gradient of the log density of molecular conformations. DiffMD relies on a score-based denoising diffusion generative model that perturbs the molecular structure with a conditional noise depending on atomic accelerations and treats conformations at previous timeframes as the prior distribution for sampling. Another challenge of modeling such a conformation generation process is that a molecule is kinetic instead of static, which no prior works have strictly studied. To solve this challenge, we propose an equivariant geometric Transformer as the score function in the diffusion process to calculate corresponding gradients. It incorporates the directions and velocities of atomic motions via 3D spherical Fourier-Bessel representations. With multiple architectural improvements, we outperform state-of-the-art baselines on MD17 and isomers of C7O2H10 datasets. This work contributes to accelerating material and drug discovery.

We study short-term prediction of wind speed and wind power (every 10 minutes up to 4 hours ahead). Accurate forecasts for these quantities are crucial to mitigate the negative effects of wind farms' intermittent production on energy systems and markets. We use machine learning to combine outputs from numerical weather prediction models with local observations. The former provide valuable information on higher scales dynamics while the latter gives the model fresher and location-specific data. So as to make the results usable for practitioners, we focus on well-known methods which can handle a high volume of data. We study first variable selection using both a linear technique and a nonlinear one. Then we exploit these results to forecast wind speed and wind power still with an emphasis on linear models versus nonlinear ones. For the wind power prediction, we also compare the indirect approach (wind speed predictions passed through a power curve) and the indirect one (directly predict wind power).

Generating power system states that have similar distribution and dependency to the historical ones is essential for the tasks of system planning and security assessment, especially when the historical data is insufficient. In this paper, we described a generative model for load profiles of industrial and commercial customers, based on the conditional variational autoencoder (CVAE) neural network architecture, which is challenging due to the highly variable nature of such profiles. Generated contextual load profiles were conditioned on the month of the year and typical power exchange with the grid. Moreover, the quality of generations was both visually and statistically evaluated. The experimental results demonstrate our proposed CVAE model can capture temporal features of historical load profiles and generate `realistic' data with satisfying univariate distributions and multivariate dependencies.

Driven by the global decarbonization effort, the rapid integration of renewable energy into the conventional electricity grid presents new challenges and opportunities for the battery energy storage system (BESS) participating in the energy market. Energy arbitrage can be a significant source of revenue for the BESS due to the increasing price volatility in the spot market caused by the mismatch between renewable generation and electricity demand. In addition, the Frequency Control Ancillary Services (FCAS) markets established to stabilize the grid can offer higher returns for the BESS due to their capability to respond within milliseconds. Therefore, it is crucial for the BESS to carefully decide how much capacity to assign to each market to maximize the total profit under uncertain market conditions. This paper formulates the bidding problem of the BESS as a Markov Decision Process, which enables the BESS to participate in both the spot market and the FCAS market to maximize profit. Then, Proximal Policy Optimization, a model-free deep reinforcement learning algorithm, is employed to learn the optimal bidding strategy from the dynamic environment of the energy market under a continuous bidding scale. The proposed model is trained and validated using real-world historical data of the Australian National Electricity Market. The results demonstrate that our developed joint bidding strategy in both markets is significantly profitable compared to individual markets.

While many classical notions of learnability (e.g., PAC learnability) are distribution-free, utilizing the specific structures of an input distribution may improve learning performance. For example, a product distribution on a multi-dimensional input space has a much simpler structure than a correlated distribution. A recent paper [GHTZ21] shows that the sample complexity of a general learning problem on product distributions is polynomial in the input dimension, which is exponentially smaller than that on correlated distributions. However, the learning algorithm they use is not the standard Empirical Risk Minimization (ERM) algorithm. In this note, we characterize the sample complexity of ERM in a general learning problem on product distributions. We show that, even though product distributions are simpler than correlated distributions, ERM still needs an exponential number of samples to learn on product distributions, instead of a polynomial. This leads to the conclusion that a product distribution by itself does not make a learning problem easier -- an algorithm designed specifically for product distributions is needed.

There has been a concurrent significant improvement in the medical images used to facilitate diagnosis and the performance of machine learning techniques to perform tasks such as classification, detection, and segmentation in recent years. As a result, a rapid increase in the usage of such systems can be observed in the healthcare industry, for instance in the form of medical image classification systems, where these models have achieved diagnostic parity with human physicians. One such application where this can be observed is in computer vision tasks such as the classification of skin lesions in dermatoscopic images. However, as stakeholders in the healthcare industry, such as insurance companies, continue to invest extensively in machine learning infrastructure, it becomes increasingly important to understand the vulnerabilities in such systems. Due to the highly critical nature of the tasks being carried out by these machine learning models, it is necessary to analyze techniques that could be used to take advantage of these vulnerabilities and methods to defend against them. This paper explores common adversarial attack techniques. The Fast Sign Gradient Method and Projected Descent Gradient are used against a Convolutional Neural Network trained to classify dermatoscopic images of skin lesions. Following that, it also discusses one of the most popular adversarial defense techniques, adversarial training. The performance of the model that has been trained on adversarial examples is then tested against the previously mentioned attacks, and recommendations to improve neural networks robustness are thus provided based on the results of the experiment.

For solving a broad class of nonconvex programming problems on an unbounded constraint set, we provide a self-adaptive step-size strategy that does not include line-search techniques and establishes the convergence of a generic approach under mild assumptions. Specifically, the objective function may not satisfy the convexity condition. Unlike descent line-search algorithms, it does not need a known Lipschitz constant to figure out how big the first step should be. The crucial feature of this process is the steady reduction of the step size until a certain condition is fulfilled. In particular, it can provide a new gradient projection approach to optimization problems with an unbounded constrained set. The correctness of the proposed method is verified by preliminary results from some computational examples. To demonstrate the effectiveness of the proposed technique for large-scale problems, we apply it to some experiments on machine learning, such as supervised feature selection, multi-variable logistic regressions and neural networks for classification.

We present the Group Propagation Vision Transformer (GPViT): a novel nonhierarchical (i.e. non-pyramidal) transformer model designed for general visual recognition with high-resolution features. High-resolution features (or tokens) are a natural fit for tasks that involve perceiving fine-grained details such as detection and segmentation, but exchanging global information between these features is expensive in memory and computation because of the way self-attention scales. We provide a highly efficient alternative Group Propagation Block (GP Block) to exchange global information. In each GP Block, features are first grouped together by a fixed number of learnable group tokens; we then perform Group Propagation where global information is exchanged between the grouped features; finally, global information in the updated grouped features is returned back to the image features through a transformer decoder. We evaluate GPViT on a variety of visual recognition tasks including image classification, semantic segmentation, object detection, and instance segmentation. Our method achieves significant performance gains over previous works across all tasks, especially on tasks that require high-resolution outputs, for example, our GPViT-L3 outperforms Swin Transformer-B by 2.0 mIoU on ADE20K semantic segmentation with only half as many parameters. Code and pre-trained models are available at https://github.com/ChenhongyiYang/GPViT .

The rapid adoption of residential solar photovoltaics (PV) has resulted in regular overvoltage events, due to correlated reverse power flows. Currently, PV inverters prevent damage to electronics by curtailing energy production in response to overvoltage. However, this disproportionately affects households at the far end of the feeder, leading to an unfair allocation of the potential value of energy produced. Globally optimizing for fair curtailment requires accurate feeder parameters, which are often unknown. This paper investigates reinforcement learning, which gradually optimizes a fair PV curtailment strategy by interacting with the system. We evaluate six fairness metrics on how well they can be learned compared to an optimal solution oracle. We show that all definitions permit efficient learning, suggesting that reinforcement learning is a promising approach to achieving both safe and fair PV coordination.

This work addresses the problems of (a) designing utilization measurements of trained artificial intelligence (AI) models and (b) explaining how training data are encoded in AI models based on those measurements. The problems are motivated by the lack of explainability of AI models in security and safety critical applications, such as the use of AI models for classification of traffic signs in self-driving cars. We approach the problems by introducing theoretical underpinnings of AI model utilization measurement and understanding patterns in utilization-based class encodings of traffic signs at the level of computation graphs (AI models), subgraphs, and graph nodes. Conceptually, utilization is defined at each graph node (computation unit) of an AI model based on the number and distribution of unique outputs in the space of all possible outputs (tensor-states). In this work, utilization measurements are extracted from AI models, which include poisoned and clean AI models. In contrast to clean AI models, the poisoned AI models were trained with traffic sign images containing systematic, physically realizable, traffic sign modifications (i.e., triggers) to change a correct class label to another label in a presence of such a trigger. We analyze class encodings of such clean and poisoned AI models, and conclude with implications for trojan injection and detection.

In real-world time series recognition applications, it is possible to have data with varying length patterns. However, when using artificial neural networks (ANN), it is standard practice to use fixed-sized mini-batches. To do this, time series data with varying lengths are typically normalized so that all the patterns are the same length. Normally, this is done using zero padding or truncation without much consideration. We propose a novel method of normalizing the lengths of the time series in a dataset by exploiting the dynamic matching ability of Dynamic Time Warping (DTW). In this way, the time series lengths in a dataset can be set to a fixed size while maintaining features typical to the dataset. In the experiments, all 11 datasets with varying length time series from the 2018 UCR Time Series Archive are used. We evaluate the proposed method by comparing it with 18 other length normalization methods on a Convolutional Neural Network (CNN), a Long-Short Term Memory network (LSTM), and a Bidirectional LSTM (BLSTM).

Artificial intelligence is to teach machines to take actions like humans. To achieve intelligent teaching, the machine learning community becomes to think about a promising topic named machine teaching where the teacher is to design the optimal (usually minimal) teaching set given a target model and a specific learner. However, previous works usually require numerous teaching examples along with large iterations to guide learners to converge, which is costly. In this paper, we consider a more intelligent teaching paradigm named one-shot machine teaching which costs fewer examples to converge faster. Different from typical teaching, this advanced paradigm establishes a tractable mapping from the teaching set to the model parameter. Theoretically, we prove that this mapping is surjective, which serves to an existence guarantee of the optimal teaching set. Then, relying on the surjective mapping from the teaching set to the parameter, we develop a design strategy of the optimal teaching set under appropriate settings, of which two popular efficiency metrics, teaching dimension and iterative teaching dimension are one. Extensive experiments verify the efficiency of our strategy and further demonstrate the intelligence of this new teaching paradigm.  ( 2 min )

Various methods using machine and deep learning have been proposed to tackle different tasks in predictive process monitoring, forecasting for an ongoing case e.g. the most likely next event or suffix, its remaining time, or an outcome-related variable. Recurrent neural networks (RNNs), and more specifically long short-term memory nets (LSTMs), stand out in terms of popularity. In this work, we investigate the capabilities of such an LSTM to actually learn the underlying process model structure of an event log. We introduce an evaluation framework that combines variant-based resampling and custom metrics for fitness, precision and generalization. We evaluate 4 hypotheses concerning the learning capabilities of LSTMs, the effect of overfitting countermeasures, the level of incompleteness in the training set and the level of parallelism in the underlying process model. We confirm that LSTMs can struggle to learn process model structure, even with simplistic process data and in a very lenient setup. Taking the correct anti-overfitting measures can alleviate the problem. However, these measures did not present themselves to be optimal when selecting hyperparameters purely on predicting accuracy. We also found that decreasing the amount of information seen by the LSTM during training, causes a sharp drop in generalization and precision scores. In our experiments, we could not identify a relationship between the extent of parallelism in the model and the generalization capability, but they do indicate that the process' complexity might have impact.  ( 2 min )

Score-based generative models are shown to achieve remarkable empirical performances in various applications such as image generation and audio synthesis. However, a theoretical understanding of score-based diffusion models is still incomplete. Recently, Song et al. showed that the training objective of score-based generative models is equivalent to minimizing the Kullback-Leibler divergence of the generated distribution from the data distribution. In this work, we show that score-based models also minimize the Wasserstein distance between them under suitable assumptions on the model. Specifically, we prove that the Wasserstein distance is upper bounded by the square root of the objective function up to multiplicative constants and a fixed constant offset. Our proof is based on a novel application of the theory of optimal transport, which can be of independent interest to the society. Our numerical experiments support our findings. By analyzing our upper bounds, we provide a few techniques to obtain tighter upper bounds.  ( 2 min )

Cell-free massive MIMO is emerging as a promising technology for future wireless communication systems, which is expected to offer uniform coverage and high spectral efficiency compared to classical cellular systems. We study in this paper how cell-free massive MIMO can support federated edge learning. Taking advantage of the additive nature of the wireless multiple access channel, over-the-air computation is exploited, where the clients send their local updates simultaneously over the same communication resource. This approach, known as over-the-air federated learning (OTA-FL), is proven to alleviate the communication overhead of federated learning over wireless networks. Considering channel correlation and only imperfect channel state information available at the central server, we propose a practical implementation of OTA-FL over cell-free massive MIMO. The convergence of the proposed implementation is studied analytically and experimentally, confirming the benefits of cell-free massive MIMO for OTA-FL.  ( 2 min )

Accurate uncertainty quantification is necessary to enhance the reliability of deep learning models in real-world applications. In the case of regression tasks, prediction intervals (PIs) should be provided along with the deterministic predictions of deep learning models. Such PIs are useful or "high-quality'' as long as they are sufficiently narrow and capture most of the probability density. In this paper, we present a method to learn prediction intervals for regression-based neural networks automatically in addition to the conventional target predictions. In particular, we train two companion neural networks: one that uses one output, the target estimate, and another that uses two outputs, the upper and lower bounds of the corresponding PI. Our main contribution is the design of a loss function for the PI-generation network that takes into account the output of the target-estimation network and has two optimization objectives: minimizing the mean prediction interval width and ensuring the PI integrity using constraints that maximize the prediction interval probability coverage implicitly. Both objectives are balanced within the loss function using a self-adaptive coefficient. Furthermore, we apply a Monte Carlo-based approach that evaluates the model uncertainty in the learned PIs. Experiments using a synthetic dataset, six benchmark datasets, and a real-world crop yield prediction dataset showed that our method was able to maintain a nominal probability coverage and produce narrower PIs without detriment to its target estimation accuracy when compared to those PIs generated by three state-of-the-art neural-network-based methods.  ( 2 min )

Recent works have investigated the role of graph bottlenecks in preventing long-range information propagation in message-passing graph neural networks, causing the so-called `over-squashing' phenomenon. As a remedy, graph rewiring mechanisms have been proposed as preprocessing steps. Graph Echo State Networks (GESNs) are a reservoir computing model for graphs, where node embeddings are recursively computed by an untrained message-passing function. In this paper, we show that GESNs can achieve a significantly better accuracy on six heterophilic node classification tasks without altering the graph connectivity, thus suggesting a different route for addressing the over-squashing problem.  ( 2 min )

Global pooling is one of the most significant operations in many machine learning models and tasks, which works for information fusion and structured data (like sets and graphs) representation. However, without solid mathematical fundamentals, its practical implementations often depend on empirical mechanisms and thus lead to sub-optimal, even unsatisfactory performance. In this work, we develop a novel and generalized global pooling framework through the lens of optimal transport. The proposed framework is interpretable from the perspective of expectation-maximization. Essentially, it aims at learning an optimal transport across sample indices and feature dimensions, making the corresponding pooling operation maximize the conditional expectation of input data. We demonstrate that most existing pooling methods are equivalent to solving a regularized optimal transport (ROT) problem with different specializations, and more sophisticated pooling operations can be implemented by hierarchically solving multiple ROT problems. Making the parameters of the ROT problem learnable, we develop a family of regularized optimal transport pooling (ROTP) layers. We implement the ROTP layers as a new kind of deep implicit layer. Their model architectures correspond to different optimization algorithms. We test our ROTP layers in several representative set-level machine learning scenarios, including multi-instance learning (MIL), graph classification, graph set representation, and image classification. Experimental results show that applying our ROTP layers can reduce the difficulty of the design and selection of global pooling -- our ROTP layers may either imitate some existing global pooling methods or lead to some new pooling layers fitting data better. The code is available at \url{https://github.com/SDS-Lab/ROT-Pooling}.  ( 2 min )

Brain-computer interface (BCI) is a communication system between humans and computers reflecting human intention without using a physical control device. Since deep learning is robust in extracting features from data, research on decoding electroencephalograms by applying deep learning has progressed in the BCI domain. However, the application of deep learning in the BCI domain has issues with a lack of data and overconfidence. To solve these issues, we proposed a novel data augmentation method, CropCat. CropCat consists of two versions, CropCat-spatial and CropCat-temporal. We designed our method by concatenating the cropped data after cropping the data, which have different labels in spatial and temporal axes. In addition, we adjusted the label based on the ratio of cropped length. As a result, the generated data from our proposed method assisted in revising the ambiguous decision boundary into apparent caused by a lack of data. Due to the effectiveness of the proposed method, the performance of the four EEG signal decoding models is improved in two motor imagery public datasets compared to when the proposed method is not applied. Hence, we demonstrate that generated data by CropCat smooths the feature distribution of EEG signals when training the model.  ( 2 min )

Automatic fake news detection is a challenging problem in misinformation spreading, and it has tremendous real-world political and social impacts. Past studies have proposed machine learning-based methods for detecting such fake news, focusing on different properties of the published news articles, such as linguistic characteristics of the actual content, which however have limitations due to the apparent language barriers. Departing from such efforts, we propose FNDaaS, the first automatic, content-agnostic fake news detection method, that considers new and unstudied features such as network and structural characteristics per news website. This method can be enforced as-a-Service, either at the ISP-side for easier scalability and maintenance, or user-side for better end-user privacy. We demonstrate the efficacy of our method using data crawled from existing lists of 637 fake and 1183 real news websites, and by building and testing a proof of concept system that materializes our proposal. Our analysis of data collected from these websites shows that the vast majority of fake news domains are very young and appear to have lower time periods of an IP associated with their domain than real news ones. By conducting various experiments with machine learning classifiers, we demonstrate that FNDaaS can achieve an AUC score of up to 0.967 on past sites, and up to 77-92% accuracy on newly-flagged ones.  ( 2 min )

Reinforcement learning (RL) is one of the most vibrant research frontiers in machine learning and has been recently applied to solve a number of challenging problems. In this paper, we primarily focus on off-policy evaluation (OPE), one of the most fundamental topics in RL. In recent years, a number of OPE methods have been developed in the statistics and computer science literature. We provide a discussion on the efficiency bound of OPE, some of the existing state-of-the-art OPE methods, their statistical properties and some other related research directions that are currently actively explored.  ( 2 min )

The simple idea that not all things are equally difficult has surprising implications when applied in a fairness context. In this work we explore how "difficulty" is model-specific, such that different models find different parts of a dataset challenging. When difficulty correlates with group information, we term this difficulty disparity. Drawing a connection with recent work exploring the inductive bias towards simplicity of SGD-trained models, we show that when such a disparity exists, it is further amplified by commonly-used models. We quantify this amplification factor across a range of settings aiming towards a fuller understanding of the role of model bias. We also present a challenge to the simplifying assumption that "fixing" a dataset is sufficient to ensure unbiased performance.  ( 2 min )

This paper studies a class of multi-agent reinforcement learning (MARL) problems where the reward that an agent receives depends on the states of other agents, but the next state only depends on the agent's own current state and action. We name it REC-MARL standing for REward-Coupled Multi-Agent Reinforcement Learning. REC-MARL has a range of important applications such as real-time access control and distributed power control in wireless networks. This paper presents a distributed and optimal policy gradient algorithm for REC-MARL. The proposed algorithm is distributed in two aspects: (i) the learned policy is a distributed policy that maps a local state of an agent to its local action and (ii) the learning/training is distributed, during which each agent updates its policy based on its own and neighbors' information. The learned policy is provably optimal among all local policies and its regret bounds depend on the dimension of local states and actions. This distinguishes our result from most existing results on MARL, which often obtain stationary-point policies. The experimental results of our algorithm for the real-time access control and power control in wireless networks show that our policy significantly outperforms the state-of-the-art algorithms and well-known benchmarks.

Traffic forecasting has attracted widespread attention recently. In reality, traffic data usually contains missing values due to sensor or communication errors. The Spatio-temporal feature in traffic data brings more challenges for processing such missing values, for which the classic techniques (e.g., data imputations) are limited: 1) in temporal axis, the values can be randomly or consecutively missing; 2) in spatial axis, the missing values can happen on one single sensor or on multiple sensors simultaneously. Recent models powered by Graph Neural Networks achieved satisfying performance on traffic forecasting tasks. However, few of them are applicable to such a complex missing-value context. To this end, we propose GCN-M, a Graph Convolutional Network model with the ability to handle the complex missing values in the Spatio-temporal context. Particularly, we jointly model the missing value processing and traffic forecasting tasks, considering both local Spatio-temporal features and global historical patterns in an attention-based memory network. We propose as well a dynamic graph learning module based on the learned local-global features. The experimental results on real-life datasets show the reliability of our proposed method.  ( 2 min )

An eco-system of agents each having their own policy with some, but limited, generalizability has proven to be a reliable approach to increase generalization across procedurally generated environments. In such an approach, new agents are regularly added to the eco-system when encountering a new environment that is outside of the scope of the eco-system. The speed of adaptation and general effectiveness of the eco-system approach highly depends on the initialization of new agents. In this paper we propose different techniques for such initialization and study their impact. We then rework the ecosystem setup to use forked agents which brings better results than the initial eco-system approach with a drastically reduced number of training cycles.  ( 2 min )

Convolutional neural networks (CNNs) are currently among the most widely-used neural networks available and achieve state-of-the-art performance for many problems. While originally applied to computer vision tasks, CNNs work well with any data with a spatial relationship, besides images, and have been applied to different fields. However, recent works have highlighted how CNNs, like other deep learning models, are sensitive to noise injection which can jeopardise their performance. This paper quantifies the numerical uncertainty of the floating point arithmetic inaccuracies of the inference stage of DeepGOPlus, a CNN that predicts protein function, in order to determine its numerical stability. In addition, this paper investigates the possibility to use reduced-precision floating point formats for DeepGOPlus inference to reduce memory consumption and latency. This is achieved with Monte Carlo Arithmetic, a technique that experimentally quantifies floating point operation errors and VPREC, a tool that emulates results with customizable floating point precision formats. Focus is placed on the inference stage as it is the main deliverable of the DeepGOPlus model that will be used across environments and therefore most likely be subjected to the most amount of noise. Furthermore, studies have shown that the inference stage is the part of the model which is most disposed to being scaled down in terms of reduced precision. All in all, it has been found that the numerical uncertainty of the DeepGOPlus CNN is very low at its current numerical precision format, but the model cannot currently be reduced to a lower precision that might render it more lightweight.  ( 2 min )

Photonic neural network (PNN) is a remarkable analog artificial intelligence (AI) accelerator that computes with photons instead of electrons to feature low latency, high energy efficiency, and high parallelism. However, the existing training approaches cannot address the extensive accumulation of systematic errors in large-scale PNNs, resulting in a significant decrease in model performance in physical systems. Here, we propose dual adaptive training (DAT) that allows the PNN model to adapt to substantial systematic errors and preserves its performance during the deployment. By introducing the systematic error prediction networks with task-similarity joint optimization, DAT achieves the high similarity mapping between the PNN numerical models and physical systems and high-accurate gradient calculations during the dual backpropagation training. We validated the effectiveness of DAT by using diffractive PNNs and interference-based PNNs on image classification tasks. DAT successfully trained large-scale PNNs under major systematic errors and preserved the model classification accuracies comparable to error-free systems. The results further demonstrated its superior performance over the state-of-the-art in situ training approaches. DAT provides critical support for constructing large-scale PNNs to achieve advanced architectures and can be generalized to other types of AI systems with analog computing errors.  ( 2 min )

Proximal Policy Optimization (PPO) is a highly popular policy-based deep reinforcement learning (DRL) approach. However, we observe that the homogeneous exploration process in PPO could cause an unexpected stability issue in the training phase. To address this issue, we propose PPO-UE, a PPO variant equipped with self-adaptive uncertainty-aware explorations (UEs) based on a ratio uncertainty level. The proposed PPO-UE is designed to improve convergence speed and performance with an optimized ratio uncertainty level. Through extensive sensitivity analysis by varying the ratio uncertainty level, our proposed PPO-UE considerably outperforms the baseline PPO in Roboschool continuous control tasks.  ( 2 min )

Deep neural operators can learn nonlinear mappings between infinite-dimensional function spaces via deep neural networks. As promising surrogate solvers of partial differential equations (PDEs) for real-time prediction, deep neural operators such as deep operator networks (DeepONets) provide a new simulation paradigm in science and engineering. Pure data-driven neural operators and deep learning models, in general, are usually limited to interpolation scenarios, where new predictions utilize inputs within the support of the training set. However, in the inference stage of real-world applications, the input may lie outside the support, i.e., extrapolation is required, which may result to large errors and unavoidable failure of deep learning models. Here, we address this challenge of extrapolation for deep neural operators. First, we systematically investigate the extrapolation behavior of DeepONets by quantifying the extrapolation complexity via the 2-Wasserstein distance between two function spaces and propose a new behavior of bias-variance trade-off for extrapolation with respect to model capacity. Subsequently, we develop a complete workflow, including extrapolation determination, and we propose five reliable learning methods that guarantee a safe prediction under extrapolation by requiring additional information -- the governing PDEs of the system or sparse new observations. The proposed methods are based on either fine-tuning a pre-trained DeepONet or multifidelity learning. We demonstrate the effectiveness of the proposed framework for various types of parametric PDEs. Our systematic comparisons provide practical guidelines for selecting a proper extrapolation method depending on the available information, desired accuracy, and required inference speed.  ( 2 min )

The performance of differentially private machine learning can be boosted significantly by leveraging the transfer learning capabilities of non-private models pretrained on large public datasets. We critically review this approach. We primarily question whether the use of large Web-scraped datasets should be viewed as differential-privacy-preserving. We caution that publicizing these models pretrained on Web data as "private" could lead to harm and erode the public's trust in differential privacy as a meaningful definition of privacy. Beyond the privacy considerations of using public data, we further question the utility of this paradigm. We scrutinize whether existing machine learning benchmarks are appropriate for measuring the ability of pretrained models to generalize to sensitive domains, which may be poorly represented in public Web data. Finally, we notice that pretraining has been especially impactful for the largest available models -- models sufficiently large to prohibit end users running them on their own devices. Thus, deploying such models today could be a net loss for privacy, as it would require (private) data to be outsourced to a more compute-powerful third party. We conclude by discussing potential paths forward for the field of private learning, as public pretraining becomes more popular and powerful.  ( 2 min )

The estimation of the generalization error of classifiers often relies on a validation set. Such a set is hardly available in few-shot learning scenarios, a highly disregarded shortcoming in the field. In these scenarios, it is common to rely on features extracted from pre-trained neural networks combined with distance-based classifiers such as nearest class mean. In this work, we introduce a Gaussian model of the feature distribution. By estimating the parameters of this model, we are able to predict the generalization error on new classification tasks with few samples. We observe that accurate distance estimates between class-conditional densities are the key to accurate estimates of the generalization performance. Therefore, we propose an unbiased estimator for these distances and integrate it in our numerical analysis. We show that our approach outperforms alternatives such as the leave-one-out cross-validation strategy in few-shot settings.  ( 2 min )

The exercise of detecting similar bug reports in bug tracking systems is known as duplicate bug report detection. Having prior knowledge of a bug report's existence reduces efforts put into debugging problems and identifying the root cause. Rule and Query-based solutions recommend a long list of potential similar bug reports with no clear ranking. In addition, triage engineers are less motivated to spend time going through an extensive list. Consequently, this deters the use of duplicate bug report retrieval solutions. In this paper, we have proposed a solution using a combination of NLP techniques. Our approach considers unstructured and structured attributes of a bug report like summary, description and severity, impacted products, platforms, categories, etc. It uses a custom data transformer, a deep neural network, and a non-generalizing machine learning method to retrieve existing identical bug reports. We have performed numerous experiments with significant data sources containing thousands of bug reports and showcased that the proposed solution achieves a high retrieval accuracy of 70% for recall@5.  ( 2 min )

Science tests competing theories or models by evaluating the similarity of their predictions against observational experience. Thus, how we measure similarity fundamentally determines what we learn. In machine learning and scientific modeling, similarity metrics are used as objective functions. A classic example being mean squared error, which is the optimal measure of similarity when errors are normally distributed and independent and identically distributed (iid). In many cases, however, the error distribution is neither normal nor iid, so it is left to the scientist to determine an appropriate objective. Here, we review how information theory can guide that selection, then demonstrate the approach with a simple hydrologic model.

Independent component analysis (ICA) is a blind source separation method to recover source signals of interest from their mixtures. Most existing ICA procedures assume independent sampling. Second-order-statistics-based source separation methods have been developed based on parametric time series models for the mixtures from the autocorrelated sources. However, the second-order-statistics-based methods cannot separate the sources accurately when the sources have temporal autocorrelations with mixed spectra. To address this issue, we propose a new ICA method by estimating spectral density functions and line spectra of the source signals using cubic splines and indicator functions, respectively. The mixed spectra and the mixing matrix are estimated by maximizing the Whittle likelihood function. We illustrate the performance of the proposed method through simulation experiments and an EEG data application. The numerical results indicate that our approach outperforms existing ICA methods, including SOBI algorithms. In addition, we investigate the asymptotic behavior of the proposed method.  ( 2 min )

The performance of decision policies and prediction models often deteriorates when applied to environments different from the ones seen during training. To ensure reliable operation, we propose and analyze the stability of a system under distribution shift, which is defined as the smallest change in the underlying environment that causes the system's performance to deteriorate beyond a permissible threshold. In contrast to standard tail risk measures and distributionally robust losses that require the specification of a plausible magnitude of distribution shift, the stability measure is defined in terms of a more intuitive quantity: the level of acceptable performance degradation. We develop a minimax optimal estimator of stability and analyze its convergence rate, which exhibits a fundamental phase shift behavior. Our characterization of the minimax convergence rate shows that evaluating stability against large performance degradation incurs a statistical cost. Empirically, we demonstrate the practical utility of our stability framework by using it to compare system designs on problems where robustness to distribution shift is critical.  ( 2 min )

The cyber-physical convergence is opening up new business opportunities for industrial operators. The need for deep integration of the cyber and the physical worlds establishes a rich business agenda towards consolidating new system and network engineering approaches. This revolution would not be possible without the rich and heterogeneous sources of data, as well as the ability of their intelligent exploitation, mainly due to the fact that data will serve as a fundamental resource to promote Industry 4.0. One of the most fruitful research and practice areas emerging from this data-rich, cyber-physical, smart factory environment is the data-driven process monitoring field, which applies machine learning methodologies to enable predictive maintenance applications. In this paper, we examine popular time series forecasting techniques as well as supervised machine learning algorithms in the applied context of Industry 4.0, by transforming and preprocessing the historical industrial dataset of a packing machine's operational state recordings (real data coming from the production line of a manufacturing plant from the food and beverage domain). In our methodology, we use only a single signal concerning the machine's operational status to make our predictions, without considering other operational variables or fault and warning signals, hence its characterization as ``agnostic''. In this respect, the results demonstrate that the adopted methods achieve a quite promising performance on three targeted use cases.  ( 2 min )

Methods for learning optimal policies use causal machine learning models to create human-interpretable rules for making choices around the allocation of different policy interventions. However, in realistic policy-making contexts, decision-makers often care about trade-offs between outcomes, not just singlemindedly maximising utility for one outcome. This paper proposes an approach termed Multi-Objective Policy Learning (MOPoL) which combines optimal decision trees for policy learning with a multi-objective Bayesian optimisation approach to explore the trade-off between multiple outcomes. It does this by building a Pareto frontier of non-dominated models for different hyperparameter settings. The key here is that a low-cost surrogate function can be an accurate proxy for the very computationally costly optimal tree in terms of expected regret. This surrogate can be fit many times with different hyperparameter values to proxy the performance of the optimal model. The method is applied to a real-world case-study of conditional cash transfers in Morocco where hybrid (partially optimal, partially greedy) policy trees provide good performance as a surrogate for optimal trees while being computationally cheap enough to feasibly fit a Pareto frontier.  ( 2 min )

Deep learning classifiers provide the most accurate means of automatically diagnosing diabetic retinopathy (DR) based on optical coherence tomography (OCT) and its angiography (OCTA). The power of these models is attributable in part to the inclusion of hidden layers that provide the complexity required to achieve a desired task. However, hidden layers also render algorithm outputs difficult to interpret. Here we introduce a novel biomarker activation map (BAM) framework based on generative adversarial learning that allows clinicians to verify and understand classifiers decision-making. A data set including 456 macular scans were graded as non-referable or referable DR based on current clinical standards. A DR classifier that was used to evaluate our BAM was first trained based on this data set. The BAM generation framework was designed by combing two U-shaped generators to provide meaningful interpretability to this classifier. The main generator was trained to take referable scans as input and produce an output that would be classified by the classifier as non-referable. The BAM is then constructed as the difference image between the output and input of the main generator. To ensure that the BAM only highlights classifier-utilized biomarkers an assistant generator was trained to do the opposite, producing scans that would be classified as referable by the classifier from non-referable scans. The generated BAMs highlighted known pathologic features including nonperfusion area and retinal fluid. A fully interpretable classifier based on these highlights could help clinicians better utilize and verify automated DR diagnosis.  ( 2 min )

Non-invasive prostate cancer detection from MRI has the potential to revolutionize patient care by providing early detection of clinically-significant disease (ISUP grade group >= 2), but has thus far shown limited positive predictive value. To address this, we present an MRI-based deep learning method for predicting clinically significant prostate cancer applicable to a patient population with subsequent ground truth biopsy results ranging from benign pathology to ISUP grade group~5. Specifically, we demonstrate that mixed supervision via diverse histopathological ground truth improves classification performance despite the cost of reduced concordance with image-based segmentation. That is, where prior approaches have utilized pathology results as ground truth derived from targeted biopsies and whole-mount prostatectomy to strongly supervise the localization of clinically significant cancer, our approach also utilizes weak supervision signals extracted from nontargeted systematic biopsies with regional localization to improve overall performance. Our key innovation is performing regression by distribution rather than simply by value, enabling use of additional pathology findings traditionally ignored by deep learning strategies. We evaluated our model on a dataset of 973 (testing n=160) multi-parametric prostate MRI exams collected at UCSF from 2015-2018 followed by MRI/ultrasound fusion (targeted) biopsy and systematic (nontargeted) biopsy of the prostate gland, demonstrating that deep networks trained with mixed supervision of histopathology can significantly exceed the performance of the Prostate Imaging-Reporting and Data System (PI-RADS) clinical standard for prostate MRI interpretation.  ( 2 min )

Federated learning (FL) is an emerging machine learning paradigm, in which clients jointly learn a model with the help of a cloud server. A fundamental challenge of FL is that the clients are often heterogeneous, e.g., they have different computing powers, and thus the clients may send model updates to the server with substantially different delays. Asynchronous FL aims to address this challenge by enabling the server to update the model once any client's model update reaches it without waiting for other clients' model updates. However, like synchronous FL, asynchronous FL is also vulnerable to poisoning attacks, in which malicious clients manipulate the model via poisoning their local data and/or model updates sent to the server. Byzantine-robust FL aims to defend against poisoning attacks. In particular, Byzantine-robust FL can learn an accurate model even if some clients are malicious and have Byzantine behaviors. However, most existing studies on Byzantine-robust FL focused on synchronous FL, leaving asynchronous FL largely unexplored. In this work, we bridge this gap by proposing AFLGuard, a Byzantine-robust asynchronous FL method. We show that, both theoretically and empirically, AFLGuard is robust against various existing and adaptive poisoning attacks (both untargeted and targeted). Moreover, AFLGuard outperforms existing Byzantine-robust asynchronous FL methods.  ( 2 min )

We study the sample complexity of reducing reinforcement learning to a sequence of empirical risk minimization problems over the policy space. Such reductions-based algorithms exhibit local convergence in the function space, as opposed to the parameter space for policy gradient algorithms, and thus are unaffected by the possibly non-linear or discontinuous parameterization of the policy class. We propose a variance-reduced variant of Conservative Policy Iteration that improves the sample complexity of producing a $\varepsilon$-functional local optimum from $O(\varepsilon^{-4})$ to $O(\varepsilon^{-3})$. Under state-coverage and policy-completeness assumptions, the algorithm enjoys $\varepsilon$-global optimality after sampling $O(\varepsilon^{-2})$ times, improving upon the previously established $O(\varepsilon^{-3})$ sample requirement.  ( 2 min )

In this paper, we revisit the class of iterative shrinkage-thresholding algorithms (ISTA) for solving the linear inverse problem with sparse representation, which arises in signal and image processing. It is shown in the numerical experiment to deblur an image that the convergence behavior in the logarithmic-scale ordinate tends to be linear instead of logarithmic, approximating to be flat. Making meticulous observations, we find that the previous assumption for the smooth part to be convex weakens the least-square model. Specifically, assuming the smooth part to be strongly convex is more reasonable for the least-square model, even though the image matrix is probably ill-conditioned. Furthermore, we improve the pivotal inequality tighter for composite optimization with the smooth part to be strongly convex instead of general convex, which is first found in [Li et al., 2022]. Based on this pivotal inequality, we generalize the linear convergence to composite optimization in both the objective value and the squared proximal subgradient norm. Meanwhile, we set a simple ill-conditioned matrix which is easy to compute the singular values instead of the original blur matrix. The new numerical experiment shows the proximal generalization of Nesterov's accelerated gradient descent (NAG) for the strongly convex function has a faster linear convergence rate than ISTA. Based on the tighter pivotal inequality, we also generalize the faster linear convergence rate to composite optimization, in both the objective value and the squared proximal subgradient norm, by taking advantage of the well-constructed Lyapunov function with a slight modification and the phase-space representation based on the high-resolution differential equation framework from the implicit-velocity scheme.  ( 2 min )

We propose a framework in which multiple entities collaborate to build a machine learning model while preserving privacy of their data. The approach utilizes feature embeddings from shared/per-entity feature extractors transforming data into a feature space for cooperation between entities. We propose two specific methods and compare them with a baseline method. In Shared Feature Extractor (SFE) Learning, the entities use a shared feature extractor to compute feature embeddings of samples. In Locally Trained Feature Extractor (LTFE) Learning, each entity uses a separate feature extractor and models are trained using concatenated features from all entities. As a baseline, in Cooperatively Trained Feature Extractor (CTFE) Learning, the entities train models by sharing raw data. Secure multi-party algorithms are utilized to train models without revealing data or features in plain text. We investigate the trade-offs among SFE, LTFE, and CTFE in regard to performance, privacy leakage (using an off-the-shelf membership inference attack), and computational cost. LTFE provides the most privacy, followed by SFE, and then CTFE. Computational cost is lowest for SFE and the relative speed of CTFE and LTFE depends on network architecture. CTFE and LTFE provide the best accuracy. We use MNIST, a synthetic dataset, and a credit card fraud detection dataset for evaluations.  ( 2 min )

Online personalized recommendation services are generally hosted in the cloud where users query the cloud-based model to receive recommended input such as merchandise of interest or news feed. State-of-the-art recommendation models rely on sparse and dense features to represent users' profile information and the items they interact with. Although sparse features account for 99% of the total model size, there was not enough attention paid to the potential information leakage through sparse features. These sparse features are employed to track users' behavior, e.g., their click history, object interactions, etc., potentially carrying each user's private information. Sparse features are represented as learned embedding vectors that are stored in large tables, and personalized recommendation is performed by using a specific user's sparse feature to index through the tables. Even with recently-proposed methods that hides the computation happening in the cloud, an attacker in the cloud may be able to still track the access patterns to the embedding tables. This paper explores the private information that may be learned by tracking a recommendation model's sparse feature access patterns. We first characterize the types of attacks that can be carried out on sparse features in recommendation models in an untrusted cloud, followed by a demonstration of how each of these attacks leads to extracting users' private information or tracking users by their behavior over time.  ( 2 min )

We consider the problem of improving the human instance segmentation mask quality for a given test image using keypoints estimation. We compare two alternative approaches. The first approach is a test-time adaptation (TTA) method, where we allow test-time modification of the segmentation network's weights using a single unlabeled test image. In this approach, we do not assume test-time access to the labeled source dataset. More specifically, our TTA method consists of using the keypoints estimates as pseudo labels and backpropagating them to adjust the backbone weights. The second approach is a training-time generalization (TTG) method, where we permit offline access to the labeled source dataset but not the test-time modification of weights. Furthermore, we do not assume the availability of any images from or knowledge about the target domain. Our TTG method consists of augmenting the backbone features with those generated by the keypoints head and feeding the aggregate vector to the mask head. Through a comprehensive set of ablations, we evaluate both approaches and identify several factors limiting the TTA gains. In particular, we show that in the absence of a significant domain shift, TTA may hurt and TTG show only a small gain in performance, whereas for a large domain shift, TTA gains are smaller and dependent on the heuristics used, while TTG gains are larger and robust to architectural choices.  ( 2 min )

Recent developments in in-situ monitoring and process control in Additive Manufacturing (AM), also known as 3D-printing, allows the collection of large amounts of emission data during the build process of the parts being manufactured. This data can be used as input into 3D and 2D representations of the 3D-printed parts. However the analysis and use, as well as the characterization of this data still remains a manual process. The aim of this paper is to propose an adaptive human-in-the-loop approach using Machine Learning techniques that automatically inspect and annotate the emissions data generated during the AM process. More specifically, this paper will look at two scenarios: firstly, using convolutional neural networks (CNNs) to automatically inspect and classify emission data collected by in-situ monitoring and secondly, applying Active Learning techniques to the developed classification model to construct a human-in-the-loop mechanism in order to accelerate the labeling process of the emission data. The CNN-based approach relies on transfer learning and fine-tuning, which makes the approach applicable to other industrial image patterns. The adaptive nature of the approach is enabled by uncertainty sampling strategy to automatic selection of samples to be presented to human experts for annotation.  ( 2 min )

Recent advances in safety-critical risk-aware control are predicated on apriori knowledge of the disturbances a system might face. This paper proposes a method to efficiently learn these disturbances online, in a risk-aware context. First, we introduce the concept of a Surface-at-Risk, a risk measure for stochastic processes that extends Value-at-Risk -- a commonly utilized risk measure in the risk-aware controls community. Second, we model the norm of the state discrepancy between the model and the true system evolution as a scalar-valued stochastic process and determine an upper bound to its Surface-at-Risk via Gaussian Process Regression. Third, we provide theoretical results on the accuracy of our fitted surface subject to mild assumptions that are verifiable with respect to the data sets collected during system operation. Finally, we experimentally verify our procedure by augmenting a drone's controller and highlight performance increases achieved via our risk-aware approach after collecting less than a minute of operating data.  ( 2 min )

Autoregressive processes naturally arise in a large variety of real-world scenarios, including e.g., stock markets, sell forecasting, weather prediction, advertising, and pricing. When addressing a sequential decision-making problem in such a context, the temporal dependence between consecutive observations should be properly accounted for converge to the optimal decision policy. In this work, we propose a novel online learning setting, named Autoregressive Bandits (ARBs), in which the observed reward follows an autoregressive process of order $k$, whose parameters depend on the action the agent chooses, within a finite set of $n$ actions. Then, we devise an optimistic regret minimization algorithm AutoRegressive Upper Confidence Bounds (AR-UCB) that suffers regret of order $\widetilde{\mathcal{O}} \left( \frac{(k+1)^{3/2}\sqrt{nT}}{(1-\Gamma)^2} \right)$, being $T$ the optimization horizon and $\Gamma < 1$ an index of the stability of the system. Finally, we present a numerical validation in several synthetic and one real-world setting, in comparison with general and specific purpose bandit baselines showing the advantages of the proposed approach.  ( 2 min )

Machine learning (ML) has recently facilitated many advances in solving problems related to many-body physical systems. Given the intrinsic quantum nature of these problems, it is natural to speculate that quantum-enhanced machine learning will enable us to unveil even greater details than we currently have. With this motivation, this paper examines a quantum machine learning approach based on shallow variational ansatz inspired by tensor networks for supervised learning tasks. In particular, we first look at the standard image classification tasks using the Fashion-MNIST dataset and study the effect of repeating tensor network layers on ansatz's expressibility and performance. Finally, we use this strategy to tackle the problem of quantum phase recognition for the transverse-field Ising and Heisenberg spin models in one and two dimensions, where we were able to reach $\geq 98\%$ test-set accuracies with both multi-scale entanglement renormalization ansatz (MERA) and tree tensor network (TTN) inspired parametrized quantum circuits.  ( 2 min )

Intensive Care in-hospital mortality prediction has various clinical applications. Neural prediction models, especially when capitalising on clinical notes, have been put forward as improvement on currently existing models. However, to be acceptable these models should be performant and transparent. This work studies different attention mechanisms for clinical neural prediction models in terms of their discrimination and calibration. Specifically, we investigate sparse attention as an alternative to dense attention weights in the task of in-hospital mortality prediction from clinical notes. We evaluate the attention mechanisms based on: i) local self-attention over words in a sentence, and ii) global self-attention with a transformer architecture across sentences. We demonstrate that the sparse mechanism approach outperforms the dense one for the local self-attention in terms of predictive performance with a publicly available dataset, and puts higher attention to prespecified relevant directive words. The performance at the sentence level, however, deteriorates as sentences including the influential directive words tend to be dropped all together.  ( 2 min )

Realistic synthetic image data rendered from 3D models can be used to augment image sets and train image classification semantic segmentation models. In this work, we explore how high quality physically-based rendering and domain randomization can efficiently create a large synthetic dataset based on production 3D CAD models of a real vehicle. We use this dataset to quantify the effectiveness of synthetic augmentation using U-net and Double-U-net models. We found that, for this domain, synthetic images were an effective technique for augmenting limited sets of real training data. We observed that models trained on purely synthetic images had a very low mean prediction IoU on real validation images. We also observed that adding even very small amounts of real images to a synthetic dataset greatly improved accuracy, and that models trained on datasets augmented with synthetic images were more accurate than those trained on real images alone. Finally, we found that in use cases that benefit from incremental training or model specialization, pretraining a base model on synthetic images provided a sizeable reduction in the training cost of transfer learning, allowing up to 90\% of the model training to be front-loaded.  ( 2 min )

Spurious correlations in training data often lead to robustness issues since models learn to use them as shortcuts. For example, when predicting whether an object is a cow, a model might learn to rely on its green background, so it would do poorly on a cow on a sandy background. A standard dataset for measuring state-of-the-art on methods mitigating this problem is Waterbirds. The best method (Group Distributionally Robust Optimization - GroupDRO) currently achieves 89\% worst group accuracy and standard training from scratch on raw images only gets 72\%. GroupDRO requires training a model in an end-to-end manner with subgroup labels. In this paper, we show that we can achieve up to 90\% accuracy without using any sub-group information in the training set by simply using embeddings from a large pre-trained vision model extractor and training a linear classifier on top of it. With experiments on a wide range of pre-trained models and pre-training datasets, we show that the capacity of the pre-training model and the size of the pre-training dataset matters. Our experiments reveal that high capacity vision transformers perform better compared to high capacity convolutional neural networks, and larger pre-training dataset leads to better worst-group accuracy on the spurious correlation dataset.  ( 2 min )

The tropical cyclone formation process is one of the most complex natural phenomena which is governed by various atmospheric, oceanographic, and geographic factors that varies with time and space. Despite several years of research, accurately predicting tropical cyclone formation remains a challenging task. While the existing numerical models have inherent limitations, the machine learning models fail to capture the spatial and temporal dimensions of the causal factors behind TC formation. In this study, a deep learning model has been proposed that can forecast the formation of a tropical cyclone with a lead time of up to 60 hours with high accuracy. The model uses the high-resolution reanalysis data ERA5 (ECMWF reanalysis 5th generation), and best track data IBTrACS (International Best Track Archive for Climate Stewardship) to forecast tropical cyclone formation in six ocean basins of the world. For 60 hours lead time the models achieve an accuracy in the range of 86.9% - 92.9% across the six ocean basins. The model takes about 5-15 minutes of training time depending on the ocean basin, and the amount of data used and can predict within seconds, thereby making it suitable for real-life usage.  ( 2 min )

Even though deep neural networks (DNNs) achieve state-of-the-art results for a number of problems involving genomic data, getting DNNs to explain their decision-making process has been a major challenge due to their black-box nature. One way to get DNNs to explain their reasoning for prediction is via attribution methods which are assumed to highlight the parts of the input that contribute to the prediction the most. Given the existence of numerous attribution methods and a lack of quantitative results on the fidelity of those methods, selection of an attribution method for sequence-based tasks has been mostly done qualitatively. In this work, we take a step towards identifying the most faithful attribution method by proposing a computational approach that utilizes point mutations. Providing quantitative results on seven popular attribution methods, we find Layerwise Relevance Propagation (LRP) to be the most appropriate one for translation initiation, with LRP identifying two important biological features for translation: the integrity of Kozak sequence as well as the detrimental effects of premature stop codons.  ( 2 min )

Fairness of machine learning (ML) software has become a major concern in the recent past. Although recent research on testing and improving fairness have demonstrated impact on real-world software, providing fairness guarantee in practice is still lacking. Certification of ML models is challenging because of the complex decision-making process of the models. In this paper, we proposed Fairify, the first SMT-based approach to verify individual fairness property in neural network (NN) models. Individual fairness ensures that any two similar individuals get similar treatment irrespective of their protected attributes e.g., race, sex, age. Verifying this fairness property is hard because of its global nature and the presence of non-linear computation nodes in NN. We proposed sound approach to make individual fairness verification tractable for the developers. The key idea is that many neurons in the NN always remain inactive when a smaller part of the input domain is considered. So, Fairify leverages white-box access to the models in production and then apply formal analysis based pruning. Our approach adopts input partitioning and then prunes the NN for each partition to provide fairness certification or counterexample. We leveraged interval arithmetic and activation heuristic of the neurons to perform the pruning as necessary. We evaluated Fairify on 25 real-world neural networks collected from four different sources, and demonstrated the effectiveness, scalability and performance over baseline and closely related work. Fairify is also configurable based on the domain and size of the NN. Our novel formulation of the problem can answer targeted verification queries with relaxations and counterexamples, which have practical implications.  ( 2 min )

Long-range time series forecasting is usually based on one of two existing forecasting strategies: Direct Forecasting and Iterative Forecasting, where the former provides low bias, high variance forecasts and the latter leads to low variance, high bias forecasts. In this paper, we propose a new forecasting strategy called Generative Forecasting (GenF), which generates synthetic data for the next few time steps and then makes long-range forecasts based on generated and observed data. We theoretically prove that GenF is able to better balance the forecasting variance and bias, leading to a much smaller forecasting error. We implement GenF via three components: (i) a novel conditional Wasserstein Generative Adversarial Network (GAN) based generator for synthetic time series data generation, called CWGAN-TS. (ii) a transformer based predictor, which makes long-range predictions using both generated and observed data. (iii) an information theoretic clustering algorithm to improve the training of both the CWGAN-TS and the transformer based predictor. The experimental results on five public datasets demonstrate that GenF significantly outperforms a diverse range of state-of-the-art benchmarks and classical approaches. Specifically, we find a 5% - 11% improvement in predictive performance (mean absolute error) while having a 15% - 50% reduction in parameters compared to the benchmarks. Lastly, we conduct an ablation study to further explore and demonstrate the effectiveness of the components comprising GenF.  ( 2 min )

Dataset Distillation (DD), a newly emerging field, aims at generating much smaller and high-quality synthetic datasets from large ones. Existing DD methods based on gradient matching achieve leading performance; however, they are extremely computationally intensive as they require continuously optimizing a dataset among thousands of randomly initialized models. In this paper, we assume that training the synthetic data with diverse models leads to better generalization performance. Thus we propose two \textbf{model augmentation} techniques, ~\ie using \textbf{early-stage models} and \textbf{weight perturbation} to learn an informative synthetic set with significantly reduced training cost. Extensive experiments demonstrate that our method achieves up to 20$\times$ speedup and comparable performance on par with state-of-the-art baseline methods.  ( 2 min )

The importance of learning rate (LR) schedules on network pruning has been observed in a few recent works. As an example, Frankle and Carbin (2019) highlighted that winning tickets (i.e., accuracy preserving subnetworks) can not be found without applying a LR warmup schedule and Renda, Frankle and Carbin (2020) demonstrated that rewinding the LR to its initial state at the end of each pruning cycle improves performance. In this paper, we go one step further by first providing a theoretical justification for the surprising effect of LR schedules. Next, we propose a LR schedule for network pruning called SILO, which stands for S-shaped Improved Learning rate Optimization. The advantages of SILO over existing state-of-the-art (SOTA) LR schedules are two-fold: (i) SILO has a strong theoretical motivation and dynamically adjusts the LR during pruning to improve generalization. Specifically, SILO increases the LR upper bound (max_lr) in an S-shape. This leads to an improvement of 2% - 4% in extensive experiments with various types of networks (e.g., Vision Transformers, ResNet) on popular datasets such as ImageNet, CIFAR-10/100. (ii) In addition to the strong theoretical motivation, SILO is empirically optimal in the sense of matching an Oracle, which exhaustively searches for the optimal value of max_lr via grid search. We find that SILO is able to precisely adjust the value of max_lr to be within the Oracle optimized interval, resulting in performance competitive with the Oracle with significantly lower complexity.  ( 2 min )

The hyperparameter optimization of neural network can be expressed as a bilevel optimization problem. The bilevel optimization is used to automatically update the hyperparameter, and the gradient of the hyperparameter is the approximate gradient based on the best response function. Finding the best response function is very time consuming. In this paper we propose CPMLHO, a new hyperparameter optimization method using cutting plane method and mixed-level objective function.The cutting plane is added to the inner layer to constrain the space of the response function. To obtain more accurate hypergradient,the mixed-level can flexibly adjust the loss function by using the loss of the training set and the verification set. Compared to existing methods, the experimental results show that our method can automatically update the hyperparameters in the training process, and can find more superior hyperparameters with higher accuracy and faster convergence.  ( 2 min )

Mutual Information (MI) based feature selection makes use of MI to evaluate each feature and eventually shortlists a relevant feature subset, in order to address issues associated with high-dimensional datasets. Despite the effectiveness of MI in feature selection, we notice that many state-of-the-art algorithms disregard the so-called unique relevance (UR) of features, and arrive at a suboptimal selected feature subset which contains a non-negligible number of redundant features. We point out that the heart of the problem is that all these MIBFS algorithms follow the criterion of Maximize Relevance with Minimum Redundancy (MRwMR), which does not explicitly target UR. This motivates us to augment the existing criterion with the objective of boosting unique relevance (BUR), leading to a new criterion called MRwMR-BUR. Depending on the task being addressed, MRwMR-BUR has two variants, termed MRwMR-BUR-KSG and MRwMR-BUR-CLF, which estimate UR differently. MRwMR-BUR-KSG estimates UR via a nearest-neighbor based approach called the KSG estimator and is designed for three major tasks: (i) Classification Performance. (ii) Feature Interpretability. (iii) Classifier Generalization. MRwMR-BUR-CLF estimates UR via a classifier based approach. It adapts UR to different classifiers, further improving the competitiveness of MRwMR-BUR for classification performance oriented tasks. The performance of both MRwMR-BUR-KSG and MRwMR-BUR-CLF is validated via experiments using six public datasets and three popular classifiers. Specifically, as compared to MRwMR, the proposed MRwMR-BUR-KSG improves the test accuracy by 2% - 3% with 25% - 30% fewer features being selected, without increasing the algorithm complexity. MRwMR-BUR-CLF further improves the classification performance by 3.8%- 5.5% (relative to MRwMR), and it also outperforms three popular classifier dependent feature selection methods.  ( 2 min )

Despite the tremendous advances in machine learning (ML), training with imbalanced data still poses challenges in many real-world applications. Among a series of diverse techniques to solve this problem, sampling algorithms are regarded as an efficient solution. However, the problem is more fundamental, with many works emphasizing the importance of instance hardness. This issue refers to the significance of managing unsafe or potentially noisy instances that are more likely to be misclassified and serve as the root cause of poor classification performance. This paper introduces HardVis, a visual analytics system designed to handle instance hardness mainly in imbalanced classification scenarios. Our proposed system assists users in visually comparing different distributions of data types, selecting types of instances based on local characteristics that will later be affected by the active sampling method, and validating which suggestions from undersampling or oversampling techniques are beneficial for the ML model. Additionally, rather than uniformly undersampling/oversampling a specific class, we allow users to find and sample easy and difficult to classify training instances from all classes. Users can explore subsets of data from different perspectives to decide all those parameters, while HardVis keeps track of their steps and evaluates the model's predictive performance in a test set separately. The end result is a well-balanced data set that boosts the predictive power of the ML model. The efficacy and effectiveness of HardVis are demonstrated with a hypothetical usage scenario and a use case. Finally, we also look at how useful our system is based on feedback we received from ML experts.  ( 3 min )

In this paper, we propose Wasserstein Isometric Mapping (Wassmap), a nonlinear dimensionality reduction technique that provides solutions to some drawbacks in existing global nonlinear dimensionality reduction algorithms in imaging applications. Wassmap represents images via probability measures in Wasserstein space, then uses pairwise Wasserstein distances between the associated measures to produce a low-dimensional, approximately isometric embedding. We show that the algorithm is able to exactly recover parameters of some image manifolds including those generated by translations or dilations of a fixed generating measure. Additionally, we show that a discrete version of the algorithm retrieves parameters from manifolds generated from discrete measures by providing a theoretical bridge to transfer recovery results from functional data to discrete data. Testing of the proposed algorithms on various image data manifolds show that Wassmap yields good embeddings compared with other global and local techniques.  ( 2 min )

The multi-armed bandit(MAB) problem is a simple yet powerful framework that has been extensively studied in the context of decision-making under uncertainty. In many real-world applications, such as robotic applications, selecting an arm corresponds to a physical action that constrains the choices of the next available arms (actions). Motivated by this, we study an extension of MAB called the graph bandit, where an agent travels over a graph to maximize the reward collected from different nodes. The graph defines the agent's freedom in selecting the next available nodes at each step. We assume the graph structure is fully available, but the reward distributions are unknown. Built upon an offline graph-based planning algorithm and the principle of optimism, we design a learning algorithm, \texttt{G-UCB}, that balances long-term exploration-exploitation using the principle of optimism. We show that our proposed algorithm achieves $O(\sqrt{|S|T\log(T)}+D|S|\log T)$ learning regret, where $|S|$ is the number of nodes and $D$ is the diameter of the graph, which matches the theoretical lower bound $\Omega(\sqrt{|S|T})$ up to logarithmic factors. To our knowledge, this result is among the first tight regret bounds in non-episodic, un-discounted learning problems with known deterministic transitions. Numerical experiments confirm that our algorithm outperforms several benchmarks.  ( 2 min )

The evaluation of clustering algorithms can involve running them on a variety of benchmark problems, and comparing their outputs to the reference, ground-truth groupings provided by experts. Unfortunately, many research papers and graduate theses consider only a small number of datasets. Also, the fact that there can be many equally valid ways to cluster a given problem set is rarely taken into account. In order to overcome these limitations, we have developed a framework whose aim is to introduce a consistent methodology for testing clustering algorithms. Furthermore, we have aggregated, polished, and standardised many clustering benchmark dataset collections referred to across the machine learning and data mining literature, and included new datasets of different dimensionalities, sizes, and cluster types. An interactive datasets explorer, the documentation of the Python API, a description of the ways to interact with the framework from other programming languages such as R or MATLAB, and other details are all provided at .  ( 2 min )

There is a significant need for principled uncertainty reasoning in machine learning systems as they are increasingly deployed in safety-critical domains. A new approach with uncertainty-aware regression-based neural networks (NNs), based on learning evidential distributions for aleatoric and epistemic uncertainties, shows promise over traditional deterministic methods and typical Bayesian NNs, notably with the capabilities to disentangle aleatoric and epistemic uncertainties. Despite some empirical success of Deep Evidential Regression (DER), there are important gaps in the mathematical foundation that raise the question of why the proposed technique seemingly works. We detail the theoretical shortcomings and analyze the performance on synthetic and real-world data sets, showing that Deep Evidential Regression is a heuristic rather than an exact uncertainty quantification. We go on to propose corrections and redefinitions of how aleatoric and epistemic uncertainties should be extracted from NNs.  ( 2 min )

Given independent standard Gaussian points $v_1, \ldots, v_n$ in dimension $d$, for what values of $(n, d)$ does there exist with high probability an origin-symmetric ellipsoid that simultaneously passes through all of the points? This basic problem of fitting an ellipsoid to random points has connections to low-rank matrix decompositions, independent component analysis, and principal component analysis. Based on strong numerical evidence, Saunderson, Parrilo, and Willsky [Proc. of Conference on Decision and Control, pp. 6031-6036, 2013] conjecture that the ellipsoid fitting problem transitions from feasible to infeasible as the number of points $n$ increases, with a sharp threshold at $n \sim d^2/4$. We resolve this conjecture up to logarithmic factors by constructing a fitting ellipsoid for some $n = \Omega( \, d^2/\mathrm{polylog}(d) \,)$, improving prior work of Ghosh et al. [Proc. of Symposium on Foundations of Computer Science, pp. 954-965, 2020] that requires $n = o(d^{3/2})$. Our proof demonstrates feasibility of the least squares construction of Saunderson et al. using a convenient decomposition of a certain non-standard random matrix and a careful analysis of its Neumann expansion via the theory of graph matrices.  ( 2 min )

Risk management in many environmental settings requires an understanding of the mechanisms that drive extreme events. Useful metrics for quantifying such risk are extreme quantiles of response variables conditioned on predictor variables that describe, e.g., climate, biosphere and environmental states. Typically these quantiles lie outside the range of observable data and so, for estimation, require specification of parametric extreme value models within a regression framework. Classical approaches in this context utilise linear or additive relationships between predictor and response variables and suffer in either their predictive capabilities or computational efficiency; moreover, their simplicity is unlikely to capture the truly complex structures that lead to the creation of extreme wildfires. In this paper, we propose a new methodological framework for performing extreme quantile regression using artificial neutral networks, which are able to capture complex non-linear relationships and scale well to high-dimensional data. The ``black box" nature of neural networks means that they lack the desirable trait of interpretability often favoured by practitioners; thus, we unify linear, and additive, regression methodology with deep learning to create partially-interpretable neural networks that can be used for statistical inference but retain high prediction accuracy. To complement this methodology, we further propose a novel point process model for extreme values which overcomes the finite lower-endpoint problem associated with the generalised extreme value class of distributions. Efficacy of our unified framework is illustrated on U.S. wildfire data with a high-dimensional predictor set and we illustrate vast improvements in predictive performance over linear and spline-based regression techniques.  ( 2 min )

Some of the tightest information-theoretic generalization bounds depend on the average information between the learned hypothesis and a single training example. However, these sample-wise bounds were derived only for expected generalization gap. We show that even for expected squared generalization gap no such sample-wise information-theoretic bounds exist. The same is true for PAC-Bayes and single-draw bounds. Remarkably, PAC-Bayes, single-draw and expected squared generalization gap bounds that depend on information in pairs of examples exist.  ( 2 min )

Independent component analysis (ICA) is a blind source separation method to recover source signals of interest from their mixtures. Most existing ICA procedures assume independent sampling. Second-order-statistics-based source separation methods have been developed based on parametric time series models for the mixtures from the autocorrelated sources. However, the second-order-statistics-based methods cannot separate the sources accurately when the sources have temporal autocorrelations with mixed spectra. To address this issue, we propose a new ICA method by estimating spectral density functions and line spectra of the source signals using cubic splines and indicator functions, respectively. The mixed spectra and the mixing matrix are estimated by maximizing the Whittle likelihood function. We illustrate the performance of the proposed method through simulation experiments and an EEG data application. The numerical results indicate that our approach outperforms existing ICA methods, including SOBI algorithms. In addition, we investigate the asymptotic behavior of the proposed method.  ( 2 min )

The hydrodynamic performance of a sea-going ship varies over its lifespan due to factors like marine fouling and the condition of the anti-fouling paint system. In order to accurately estimate the power demand and fuel consumption for a planned voyage, it is important to assess the hydrodynamic performance of the ship. The current work uses machine-learning (ML) methods to estimate the hydrodynamic performance of a ship using the onboard recorded in-service data. Three ML methods, NL-PCR, NL-PLSR and probabilistic ANN, are calibrated using the data from two sister ships. The calibrated models are used to extract the varying trend in ship's hydrodynamic performance over time and predict the change in performance through several propeller and hull cleaning events. The predicted change in performance is compared with the corresponding values estimated using the fouling friction coefficient ($\Delta C_F$). The ML methods are found to be performing well while modelling the hydrodynamic state variables of the ships with probabilistic ANN model performing the best, but the results from NL-PCR and NL-PLSR are not far behind, indicating that it may be possible to use simple methods to solve such problems with the help of domain knowledge.  ( 2 min )

In this paper, we revisit the class of iterative shrinkage-thresholding algorithms (ISTA) for solving the linear inverse problem with sparse representation, which arises in signal and image processing. It is shown in the numerical experiment to deblur an image that the convergence behavior in the logarithmic-scale ordinate tends to be linear instead of logarithmic, approximating to be flat. Making meticulous observations, we find that the previous assumption for the smooth part to be convex weakens the least-square model. Specifically, assuming the smooth part to be strongly convex is more reasonable for the least-square model, even though the image matrix is probably ill-conditioned. Furthermore, we improve the pivotal inequality tighter for composite optimization with the smooth part to be strongly convex instead of general convex, which is first found in [Li et al., 2022]. Based on this pivotal inequality, we generalize the linear convergence to composite optimization in both the objective value and the squared proximal subgradient norm. Meanwhile, we set a simple ill-conditioned matrix which is easy to compute the singular values instead of the original blur matrix. The new numerical experiment shows the proximal generalization of Nesterov's accelerated gradient descent (NAG) for the strongly convex function has a faster linear convergence rate than ISTA. Based on the tighter pivotal inequality, we also generalize the faster linear convergence rate to composite optimization, in both the objective value and the squared proximal subgradient norm, by taking advantage of the well-constructed Lyapunov function with a slight modification and the phase-space representation based on the high-resolution differential equation framework from the implicit-velocity scheme.  ( 2 min )

The estimation of the generalization error of classifiers often relies on a validation set. Such a set is hardly available in few-shot learning scenarios, a highly disregarded shortcoming in the field. In these scenarios, it is common to rely on features extracted from pre-trained neural networks combined with distance-based classifiers such as nearest class mean. In this work, we introduce a Gaussian model of the feature distribution. By estimating the parameters of this model, we are able to predict the generalization error on new classification tasks with few samples. We observe that accurate distance estimates between class-conditional densities are the key to accurate estimates of the generalization performance. Therefore, we propose an unbiased estimator for these distances and integrate it in our numerical analysis. We show that our approach outperforms alternatives such as the leave-one-out cross-validation strategy in few-shot settings.  ( 2 min )

Explicitly accounting for uncertainties is paramount to the safety of engineering structures. Optimization which is often carried out at the early stage of the structural design offers an ideal framework for this task. When the uncertainties are mainly affecting the objective function, robust design optimization is traditionally considered. This work further assumes the existence of multiple and competing objective functions that need to be dealt with simultaneously. The optimization problem is formulated by considering quantiles of the objective functions which allows for the combination of both optimality and robustness in a single metric. By introducing the concept of common random numbers, the resulting nested optimization problem may be solved using a general-purpose solver, herein the non-dominated sorting genetic algorithm (NSGA-II). The computational cost of such an approach is however a serious hurdle to its application in real-world problems. We therefore propose a surrogate-assisted approach using Kriging as an inexpensive approximation of the associated computational model. The proposed approach consists of sequentially carrying out NSGA-II while using an adaptively built Kriging model to estimate the quantiles. Finally, the methodology is adapted to account for mixed categorical-continuous parameters as the applications involve the selection of qualitative design parameters as well. The methodology is first applied to two analytical examples showing its efficiency. The third application relates to the selection of optimal renovation scenarios of a building considering both its life cycle cost and environmental impact. It shows that when it comes to renovation, the heating system replacement should be the priority.  ( 2 min )

A recent line of work has shown remarkable behaviors of the generalization error curves in simple learning models. Even the least-squares regression has shown atypical features such as the model-wise double descent, and further works have observed triple or multiple descents. Another important characteristic are the epoch-wise descent structures which emerge during training. The observations of model-wise and epoch-wise descents have been analytically derived in limited theoretical settings (such as the random feature model) and are otherwise experimental. In this work, we provide a full and unified analysis of the whole time-evolution of the generalization curve, in the asymptotic large-dimensional regime and under gradient-flow, within a wider theoretical setting stemming from a gaussian covariate model. In particular, we cover most cases already disparately observed in the literature, and also provide examples of the existence of multiple descent structures as a function of a model parameter or time. Furthermore, we show that our theoretical predictions adequately match the learning curves obtained by gradient descent over realistic datasets. Technically we compute averages of rational expressions involving random matrices using recent developments in random matrix theory based on "linear pencils". Another contribution, which is also of independent interest in random matrix theory, is a new derivation of related fixed point equations (and an extension there-off) using Dyson brownian motions.  ( 2 min )

We study short-term prediction of wind speed and wind power (every 10 minutes up to 4 hours ahead). Accurate forecasts for these quantities are crucial to mitigate the negative effects of wind farms' intermittent production on energy systems and markets. We use machine learning to combine outputs from numerical weather prediction models with local observations. The former provide valuable information on higher scales dynamics while the latter gives the model fresher and location-specific data. So as to make the results usable for practitioners, we focus on well-known methods which can handle a high volume of data. We study first variable selection using both a linear technique and a nonlinear one. Then we exploit these results to forecast wind speed and wind power still with an emphasis on linear models versus nonlinear ones. For the wind power prediction, we also compare the indirect approach (wind speed predictions passed through a power curve) and the indirect one (directly predict wind power).  ( 2 min )

Multi-player multi-armed bandit is an increasingly relevant decision-making problem, motivated by applications to cognitive radio systems. Most research for this problem focuses exclusively on the settings that players have \textit{full access} to all arms and receive no reward when pulling the same arm. Hence all players solve the same bandit problem with the goal of maximizing their cumulative reward. However, these settings neglect several important factors in many real-world applications, where players have \textit{limited access} to \textit{a dynamic local subset of arms} (i.e., an arm could sometimes be ``walking'' and not accessible to the player). To this end, this paper proposes a \textit{multi-player multi-armed walking bandits} model, aiming to address aforementioned modeling issues. The goal now is to maximize the reward, however, players can only pull arms from the local subset and only collect a full reward if no other players pull the same arm. We adopt Upper Confidence Bound (UCB) to deal with the exploration-exploitation tradeoff and employ distributed optimization techniques to properly handle collisions. By carefully integrating these two techniques, we propose a decentralized algorithm with near-optimal guarantee on the regret, and can be easily implemented to obtain competitive empirical performance.  ( 2 min )

Reinforcement learning (RL) is one of the most vibrant research frontiers in machine learning and has been recently applied to solve a number of challenging problems. In this paper, we primarily focus on off-policy evaluation (OPE), one of the most fundamental topics in RL. In recent years, a number of OPE methods have been developed in the statistics and computer science literature. We provide a discussion on the efficiency bound of OPE, some of the existing state-of-the-art OPE methods, their statistical properties and some other related research directions that are currently actively explored.  ( 2 min )

We propose a novel model agnostic data-driven reliability analysis framework for time-dependent reliability analysis. The proposed approach -- referred to as MAntRA -- combines interpretable machine learning, Bayesian statistics, and identifying stochastic dynamic equation to evaluate reliability of stochastically-excited dynamical systems for which the governing physics is \textit{apriori} unknown. A two-stage approach is adopted: in the first stage, an efficient variational Bayesian equation discovery algorithm is developed to determine the governing physics of an underlying stochastic differential equation (SDE) from measured output data. The developed algorithm is efficient and accounts for epistemic uncertainty due to limited and noisy data, and aleatoric uncertainty because of environmental effect and external excitation. In the second stage, the discovered SDE is solved using a stochastic integration scheme and the probability failure is computed. The efficacy of the proposed approach is illustrated on three numerical examples. The results obtained indicate the possible application of the proposed approach for reliability analysis of in-situ and heritage structures from on-site measurements.  ( 2 min )

The performance of differentially private machine learning can be boosted significantly by leveraging the transfer learning capabilities of non-private models pretrained on large public datasets. We critically review this approach. We primarily question whether the use of large Web-scraped datasets should be viewed as differential-privacy-preserving. We caution that publicizing these models pretrained on Web data as "private" could lead to harm and erode the public's trust in differential privacy as a meaningful definition of privacy. Beyond the privacy considerations of using public data, we further question the utility of this paradigm. We scrutinize whether existing machine learning benchmarks are appropriate for measuring the ability of pretrained models to generalize to sensitive domains, which may be poorly represented in public Web data. Finally, we notice that pretraining has been especially impactful for the largest available models -- models sufficiently large to prohibit end users running them on their own devices. Thus, deploying such models today could be a net loss for privacy, as it would require (private) data to be outsourced to a more compute-powerful third party. We conclude by discussing potential paths forward for the field of private learning, as public pretraining becomes more popular and powerful.  ( 2 min )

Leveraging well-established MCMC strategies, we propose MCMC-interactive variational inference (MIVI) to not only estimate the posterior in a time constrained manner, but also facilitate the design of MCMC transitions. Constructing a variational distribution followed by a short Markov chain that has parameters to learn, MIVI takes advantage of the complementary properties of variational inference and MCMC to encourage mutual improvement. On one hand, with the variational distribution locating high posterior density regions, the Markov chain is optimized within the variational inference framework to efficiently target the posterior despite a small number of transitions. On the other hand, the optimized Markov chain with considerable flexibility guides the variational distribution towards the posterior and alleviates its underestimation of uncertainty. Furthermore, we prove the optimized Markov chain in MIVI admits extrapolation, which means its marginal distribution gets closer to the true posterior as the chain grows. Therefore, the Markov chain can be used separately as an efficient MCMC scheme. Experiments show that MIVI not only accurately and efficiently approximates the posteriors but also facilitates designs of stochastic gradient MCMC and Gibbs sampling transitions.  ( 2 min )

Global pooling is one of the most significant operations in many machine learning models and tasks, which works for information fusion and structured data (like sets and graphs) representation. However, without solid mathematical fundamentals, its practical implementations often depend on empirical mechanisms and thus lead to sub-optimal, even unsatisfactory performance. In this work, we develop a novel and generalized global pooling framework through the lens of optimal transport. The proposed framework is interpretable from the perspective of expectation-maximization. Essentially, it aims at learning an optimal transport across sample indices and feature dimensions, making the corresponding pooling operation maximize the conditional expectation of input data. We demonstrate that most existing pooling methods are equivalent to solving a regularized optimal transport (ROT) problem with different specializations, and more sophisticated pooling operations can be implemented by hierarchically solving multiple ROT problems. Making the parameters of the ROT problem learnable, we develop a family of regularized optimal transport pooling (ROTP) layers. We implement the ROTP layers as a new kind of deep implicit layer. Their model architectures correspond to different optimization algorithms. We test our ROTP layers in several representative set-level machine learning scenarios, including multi-instance learning (MIL), graph classification, graph set representation, and image classification. Experimental results show that applying our ROTP layers can reduce the difficulty of the design and selection of global pooling -- our ROTP layers may either imitate some existing global pooling methods or lead to some new pooling layers fitting data better. The code is available at \url{https://github.com/SDS-Lab/ROT-Pooling}.  ( 2 min )

The performance of decision policies and prediction models often deteriorates when applied to environments different from the ones seen during training. To ensure reliable operation, we propose and analyze the stability of a system under distribution shift, which is defined as the smallest change in the underlying environment that causes the system's performance to deteriorate beyond a permissible threshold. In contrast to standard tail risk measures and distributionally robust losses that require the specification of a plausible magnitude of distribution shift, the stability measure is defined in terms of a more intuitive quantity: the level of acceptable performance degradation. We develop a minimax optimal estimator of stability and analyze its convergence rate, which exhibits a fundamental phase shift behavior. Our characterization of the minimax convergence rate shows that evaluating stability against large performance degradation incurs a statistical cost. Empirically, we demonstrate the practical utility of our stability framework by using it to compare system designs on problems where robustness to distribution shift is critical.  ( 2 min )

Evaluating the performance of an ongoing policy plays a vital role in many areas such as medicine and economics, to provide crucial instruction on the early-stop of the online experiment and timely feedback from the environment. Policy evaluation in online learning thus attracts increasing attention by inferring the mean outcome of the optimal policy (i.e., the value) in real-time. Yet, such a problem is particularly challenging due to the dependent data generated in the online environment, the unknown optimal policy, and the complex exploration and exploitation trade-off in the adaptive experiment. In this paper, we aim to overcome these difficulties in policy evaluation for online learning. We explicitly derive the probability of exploration that quantifies the probability of exploring the non-optimal actions under commonly used bandit algorithms. We use this probability to conduct valid inference on the online conditional mean estimator under each action and develop the doubly robust interval estimation (DREAM) method to infer the value under the estimated optimal policy in online learning. The proposed value estimator provides double protection on the consistency and is asymptotically normal with a Wald-type confidence interval provided. Extensive simulations and real data applications are conducted to demonstrate the empirical validity of the proposed DREAM method.  ( 2 min )

Autoregressive processes naturally arise in a large variety of real-world scenarios, including e.g., stock markets, sell forecasting, weather prediction, advertising, and pricing. When addressing a sequential decision-making problem in such a context, the temporal dependence between consecutive observations should be properly accounted for converge to the optimal decision policy. In this work, we propose a novel online learning setting, named Autoregressive Bandits (ARBs), in which the observed reward follows an autoregressive process of order $k$, whose parameters depend on the action the agent chooses, within a finite set of $n$ actions. Then, we devise an optimistic regret minimization algorithm AutoRegressive Upper Confidence Bounds (AR-UCB) that suffers regret of order $\widetilde{\mathcal{O}} \left( \frac{(k+1)^{3/2}\sqrt{nT}}{(1-\Gamma)^2} \right)$, being $T$ the optimization horizon and $\Gamma < 1$ an index of the stability of the system. Finally, we present a numerical validation in several synthetic and one real-world setting, in comparison with general and specific purpose bandit baselines showing the advantages of the proposed approach.  ( 2 min )

Matrix factorization exploits the idea that, in complex high-dimensional data, the actual signal typically lies in lower-dimensional structures. These lower dimensional objects provide useful insight, with interpretability favored by sparse structures. Sparsity, in addition, is beneficial in terms of regularization and, thus, to avoid over-fitting. By exploiting Bayesian shrinkage priors, we devise a computationally convenient approach for high-dimensional matrix factorization. The dependence between row and column entities is modeled by inducing flexible sparse patterns within factors. The availability of external information is accounted for in such a way that structures are allowed while not imposed. Inspired by boosting algorithms, we pair the the proposed approach with a numerical strategy relying on a sequential inclusion and estimation of low-rank contributions, with data-driven stopping rule. Practical advantages of the proposed approach are demonstrated by means of a simulation study and the analysis of soccer heatmaps obtained from new generation tracking data.  ( 2 min )

submitted by /u/timothy-ventura [link] [comments]  ( 50 min )

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submitted by /u/Repeat-or [link] [comments]  ( 51 min )

I recently made art for a project that someone bought off me and I want to use the money I earned to get better software. What is high quality software that I can invest in? I know about Dalle-2 and nvidia Canvas, but what else is there? submitted by /u/Giham [link] [comments]  ( 51 min )

My take on ChatGPT from the perspective of a software engineer. It’s amazing, but it won’t replace our jobs (yet). submitted by /u/dhines5 [link] [comments]  ( 54 min )

The magic of human language blinds us 2 its sociobiological humble origins. We could probably speaks 10s of thousands of yrs before leaving evidence and, probably only slightly more sophisticated than dogs initially, and it was just brute force trial and error that lead to Shakespeare. submitted by /u/Emergency_Address_51 [link] [comments]  ( 47 min )

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Hey guys! I made an app where you can chat with the AI-powered digital twin of a real person, it’s called “Get Cheezy With Dr. Aaron Ozee”.Aaron Ozee is a celebrity writer and children’s book author, but also he’s a friend of mine and it was cool to work together to create something so fundamentally new. The avatar is super realistic, he moves, sounds, and talks like Aaron himself, all because AI models, such as TTS, lipsync and the conversational engine based on LLM. Here is an app, if you want to try: https://apps.apple.com/app/get-cheezy-with-dr-aaron-ozee/id1642331303 Next, I want to make a tool where everyone can create their own character and share it with friends and followers. I believe this will revolutionize 1-to-many direct communication. I would love to hear your feedback, do you think this technology can scale our most valuable resource — time? submitted by /u/mynameisJura [link] [comments]  ( 48 min )

Need an teacher? Use ChatGPT Need an designer? Use Midjourney Need an voice actor? Use Synthesis Need a copywriter? Use Copy AI Need an assistant? Use Alexa You can use AI and save thousands of hours. submitted by /u/TheVellerShow [link] [comments]  ( 57 min )

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Seeing AI do so many wonderful things in no time is beautiful but also scary It is cool to see it replace a profession when you are not from that field but if you are it will leave you without. It can and will do wonderful things but at the rate it is advancing (which will only get faster) most jobs will stop existing, what will people even do for a living when AI can do everything, faster and better? (INB4 universal basic income The goverments don't want to gift you money, they live from you and if they did give you money chances are it would be under some kind of strict social credit slavery that will barely allow you to live (if they outright don't start killing people). Communist utopias always end with everybody owning nothing or being disposable tools of the state. submitted by /u/Absolutelynobody54 [link] [comments]  ( 51 min )

submitted by /u/liquidocelotYT [link] [comments]  ( 51 min )

Programming is way more fun when you learn/work with someone. Help each other, ask questions, brainstorm, etc. There is just so much benefit to joining a community when you are in this field, especially when you cannot find the question you are looking for on stack overflow! 😉 This is the same thing with AI, which is why I created a Discord server two years ago. Where anyone learning or working in the field could come and share their projects, learn together, work together, and much more. The community is now close to 30'000 members, which is unbelievable! Likewise, if you are just tinkering with ChatGPT, DALLE or MidJourney. Come join us and share your creations and the projects/companies/products you build (or find your next co-founder)! So glad to see it growing and see everyone so active. We have partnered with Towards AI to provide qualitative events, live streams, a community newsletter, free courses following recent developments, job opportunities, and more! p.s. we are always looking for contributors to our different projects (answer questions, moderation, help with open-source resources, podcast hosts...). Please reach out to me if interested! We also have some budget or cool merch we can send out :) Come join us if you are in the AI field ! https://discord.gg/learnaitogether submitted by /u/OnlyProggingForFun [link] [comments]  ( 53 min )

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I would like to implement machine learning services for the following propose. verify correctness of answer. verify and correct grammar. look for outdated question (ex: what team Verstapen is racing for?) Desirable: Block offensive questions. I'm open to comment and suggestions! submitted by /u/WillPatagonia [link] [comments]  ( 51 min )

Hey guys, I´m doing a research project on AI Art and I need a lot of artwork from different years all the way from the 1970s to today. Does anyone know how I can find galleries of AI art with the year they were created in? Thanks! submitted by /u/Airikiskul [link] [comments]  ( 55 min )

I use copy.ai to create full articles in minutes and, for now, it is my favourite. However, I would like to explore other options and I would love to read suggestions. submitted by /u/Luisvzoa [link] [comments]  ( 48 min )

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I have several old dell optiplex 7010 machines (core i3) with as much as 8GB RAM each) that I can use, but ZERO knowledge of where to even start. TIA submitted by /u/copycat042 [link] [comments]  ( 49 min )

My theory: no good datasets, as opposed to image datasets like LAION harder/illegal to get music datasets. Shady methods are usually required to get large music datasets (like torrenting). The only music datasets I've found are classical, and even then, very limited as performances of classical music are still copyrighted. Therefore, large companies like OpenAI/Google are unable to take the risk in making a good generative music AI due to legal reasons. Startups have a better chance because they have less to lose and can better hide the fact that they trained their model with copyrighted material. Other than that, I don't believe audio is more challenging to process than images because the complete audio file can be reduced to its spectrogram, which is just a 2D image. TLDR: No good datasets submitted by /u/happyhammy [link] [comments]  ( 70 min )

I'm trying to understand the following breakdown of batch sizes in the realm of high learning rates and fast model training from this post: https://myrtle.ai/learn/how-to-train-your-resnet-2-mini-batches/ Specifically, this bit: The results above suggest that if one wishes to train a neural network at high learning rates then there are two regimes to consider. For the current model and dataset, at batch size 128 we are safely in the regime where forgetfulness dominates and we should either focus on methods to reduce this (e.g. using larger models with sparse updates or perhaps natural gradient descent), or we should push batch sizes higher. At batch size 512 we enter the regime where curvature effects dominate and the focus should shift to mitigating these. In combination with the …  ( 66 min )

Paper: https://arxiv.org/abs/2212.03551 Twitter expanation: https://twitter.com/mpshanahan/status/1601641313933221888 Reddit discussion: https://www.reddit.com/r/agi/comments/zi0ks0/talking_about_large_language_models/ Abstract: Thanks to rapid progress in artificial intelligence, we have entered an era when technology and philosophy intersect in interesting ways. Sitting squarely at the centre of this intersection are large language models (LLMs). The more adept LLMs become at mimicking human language, the more vulnerable we become to anthropomorphism, to seeing the systems in which they are embedded as more human-like than they really are.This trend is amplified by the natural tendency to use philosophically loaded terms, such as "knows", "believes", and "thinks", when describin…  ( 64 min )

We recently open-sourced Inseq, a Python library built on top of 🤗 transformers and Pytorch, aimed at democratizing and commoditizing post-hoc interpretability analysis for sequence generation models. https://github.com/inseq-team/inseq Inseq supports thousands of 🤗 decoder-only and seq2seq models, with various attribution methods already baked in and many more to come. Attributing MetaAI's Galactica writing LaTeX formulas or GoogleAI Flan-T5 doing commonsense reasoning now takes only 3 lines of code! The Inseq CLI improves the user experience when conducting global analyses by enabling batched attribution of examples and even entire datasets from the 🤗 Hub directly from the console. Inseq is beginner-friendly but also fully extensible for advanced use cases, supporting attribution of custom functions and the extraction of step scores during generation. With Inseq, we aim to centralize and standardize some practices of the interpretability community working on NLG and NMT, to enable fair and reproducible evaluation. The project is still in its infancy, and feedback/contributions are very much appreciated! submitted by /u/SubstantialDig6663 [link] [comments]  ( 60 min )

so I'm working on a project where multiple sensors relay data to a central node in a synchronous fashion for real time data capture, the main aim being to ensure the data is in sync, all done via BLE. Was wondering how I could use RL to create a control algorithm? Maybe cooperative MARL network where each sensor is the agent or along these lines, or maybe even some other learning algorithm. Would appreciate advice from y'all, previous articles and works are welcome. Thanks!! submitted by /u/TittyMcSwag619 [link] [comments]  ( 63 min )

Another year of has passed, and we’ve seen exciting progress in research around self-supervised learning in computer vision. We’re very excited that some of the recent models such as Masked Autoencoders (MAE) or Masked Siamese Networks (MSN) have been added to our OSS framework. The framework is also more and more used in research, ranging from medical imaging labs to big tech companies. Although we only have limited resources, we’re happy to make at least a small contribution to the community. The framework is built on top of PyTorch and is compatible with frameworks such as PyTorch Lightning for scaling across multiple GPUs.We are curious to hear your feedback. submitted by /u/igorsusmelj [link] [comments]  ( 70 min )

I am trying to recall a recent paper about deep learning activity flow where the authors introduced a penalty term which helps activity flow in the network. The authors show that this helps avoid the vanishing gradient problem and also show that even with poor initialization, they can train well because of their proposed method. ​ The paper proposed an auxiliary loss at the activation level which was able to overcome poor weight initialization and use of sigmoid or tanh activation functions. I have been searching all day and can't find it. I think I originally found it on https://papers.labml.ai/papers/weekly/ submitted by /u/Ok-Teacher-22 [link] [comments]  ( 67 min )

Hello Everyone 👋, I just implemented the paper named AN IMAGE IS WORTH 16X16 WORDS: TRANSFORMERS FOR IMAGE RECOGNITION AT SCALE popularly known as the vision transformer paper. This paper uses a Transformer encoder for image recognition. It achieves state-of-the-art performance without using convolutional layers given that we have a huge dataset and enough computational resources. Below I am sharing my implementation of this paper, please have a look and give it a 🌟 if you like it. This implementation provides easy-to-read code for understanding how the model works internally. My implementation: GitHub Link Thanks for your attention. 😀 submitted by /u/TensorDudee [link] [comments]  ( 69 min )

I am solving a graph-level problem. I want to fit graph embeddings to a learn-to-rank NN to rank the graphs by their "quality". The "quality" of the graphs is determined by whether they have certain shape or structure, say they have self-loops and no loose end, has many split nodes and merging nodes etc. The node and edge features are not in consideration. To my understanding, graph embeddings are best suited for graph similarity comparison, are there any techniques that can fit my use case? submitted by /u/J00Nnn [link] [comments]  ( 58 min )

The standard method is to normalize the entire dataset (the training part) then send it to the model to train on. However I’ve noticed that in this manner the model doesn’t really work well when dealing with values outside the range it was trained on. So how about normalizing each sample between a fixed range, say 0 to 1 and then sending them in. Of course the testing data and the values to predict on would also be normalized in the same way. Would it change the neural network for the better or worse? submitted by /u/xylont [link] [comments]  ( 63 min )

As above. I know there are a deluge of papers out there, but i am looking for a modern but lightweight network that can consume unorganized pt clouds, ideally in batch form (though i am not sure how this will work if points are of different sizes?) and produce 6dof pose, + 3 dof dimensions optionally. I assume it's going to be some kind of lightweight PointNet++ type architecture, but would be great if i can be pointed to some resources submitted by /u/soulslicer0 [link] [comments]  ( 66 min )

If you operate in a country with multiple official languages or across multiple regions, your audio files can contain different languages. Participants may be speaking entirely different languages or may switch between languages. Consider a customer service call to report a problem in an area with a substantial multi-lingual population. Although the conversation could begin […]  ( 6 min )

Enterprises need to translate business-critical content such as marketing materials, instruction manuals, and product catalogs across multiple languages to communicate with a global audience of customers, partners, and stakeholders. Identifying the source language in each document before calling a translate job creates complexities and adds another step to your workflow. For example, an international product […]  ( 5 min )

CAST Visiting Artist Andreas Refsgaard engages the MIT community in the ethics and play of creative coding.  ( 9 min )

Yesterday Terence Tao published a blog post on bounds for the Poisson probability distribution. Specifically, he wrote about Bennett’s inequalities and a refinement that he developed or at least made explicit. Tao writes This observation is not difficult and is implicitly in the literature … I was not able to find a clean version of […] Poisson distribution tail bounds first appeared on John D. Cook.  ( 5 min )

Mentally calculating the day of the week will be especially easy in 2023. The five-step process discussed here reduces to three steps in 2023. One of the steps involves leap years, and 2023 is not a leap year. Another step involves calculating and adding in the “year share,” and the year share for 2023 is […] Mentally calculating the day of the week in 2023 first appeared on John D. Cook.  ( 6 min )

submitted by /u/Ziinxx [link] [comments]  ( 49 min )

The standard method is to normalize the entire dataset (the training part) then send it to the model to train on. However I’ve noticed that in this manner the model doesn’t really work well when dealing with values outside the range it was trained on. So how about normalizing each sample between a fixed range, say 0 to 1 and then sending them in. Of course the testing data and the values to predict on would also be normalized in the same way. Would it change the neural network for the better or worse? submitted by /u/xylont [link] [comments]  ( 65 min )

Hey so I'm working on a project where multiple sensors relay data to a central node in a synchronous fashion for real time data capture, the main aim being to ensure the data is in sync, all done via BLE. Was wondering how I could use RL to create a control algorithm? Maybe cooperative MARL network where each sensor is the agent or along these lines. Would appreciate advice from y'all, previous articles and works are welcome. Thanks!! submitted by /u/TittyMcSwag619 [link] [comments]  ( 50 min )

Hi, I'm new to reinforcement learning (currently reading the Sutton book while trying to create a few things). I'm trying to design a custom environment using OpenAI Gym. Due to the lack of courses, etc., I'm reading the documents to have a deeper understanding of how to design such environments. I came by an example, the so-called gym-any-trade environment. I saw how the developer created this environment using a Pandas dataframe to have the information needed. To me, it seems that each row of the dataframe to be used in this environment contains a time point with stock prices. I wasn't able, however, to see any places in which this code was iterating over the dataframe rows (like a loop "for each row in DF..." or something like that). It only creates a window of observation rows but does not iterate over the rows of the original DF explicitly. So my question is: does the gym-open-air environment iterate over the dataframe rows per default? submitted by /u/tuliosarmento [link] [comments]  ( 56 min )

Self-attentive transformer models have recently been shown to solve the next item recommendation task very efficiently. The learned attention weights capture sequential dynamics in user behavior and generalize well. Motivated by the special structure of learned parameter space, we question if it is possible to mimic it with an alternative and more lightweight approach. We develop a new tensor factorization-based model that ingrains the structural knowledge about sequential data within the learning process. We demonstrate how certain properties of a self-attention network can be reproduced with our approach based on special Hankel matrix representation. The resulting model has a shallow linear architecture and compares competitively to its neural counterpart.  ( 2 min )

SchNetPack is a versatile neural networks toolbox that addresses both the requirements of method development and application of atomistic machine learning. Version 2.0 comes with an improved data pipeline, modules for equivariant neural networks as well as a PyTorch implementation of molecular dynamics. An optional integration with PyTorch Lightning and the Hydra configuration framework powers a flexible command-line interface. This makes SchNetPack 2.0 easily extendable with custom code and ready for complex training task such as generation of 3d molecular structures.  ( 2 min )

High-dimensional data can often display heterogeneity due to heteroscedastic variance or inhomogeneous covariate effects. Penalized quantile and expectile regression methods offer useful tools to detect heteroscedasticity in high-dimensional data. The former is computationally challenging due to the non-smooth nature of the check loss, and the latter is sensitive to heavy-tailed error distributions. In this paper, we propose and study (penalized) robust expectile regression (retire), with a focus on iteratively reweighted $\ell_1$-penalization which reduces the estimation bias from $\ell_1$-penalization and leads to oracle properties. Theoretically, we establish the statistical properties of the retire estimator under two regimes: (i) low-dimensional regime in which $d \ll n$; (ii) high-dimensional regime in which $s\ll n\ll d$ with $s$ denoting the number of significant predictors. In the high-dimensional setting, we carefully characterize the solution path of the iteratively reweighted $\ell_1$-penalized retire estimation, adapted from the local linear approximation algorithm for folded-concave regularization. Under a mild minimum signal strength condition, we show that after as many as $\log(\log d)$ iterations the final iterate enjoys the oracle convergence rate. At each iteration, the weighted $\ell_1$-penalized convex program can be efficiently solved by a semismooth Newton coordinate descent algorithm. Numerical studies demonstrate the competitive performance of the proposed procedure compared with either non-robust or quantile regression based alternatives.  ( 2 min )

This paper first constructs a typical solution of ResNets for multi-category classifications by the principle of gate-network controls and deep-layer classifications, from which a general interpretation of the ResNet architecture is given and the performance mechanism is explained. We then use more solutions to further demonstrate the generality of that interpretation. The universal-approximation capability of ResNets is proved.  ( 2 min )

The geographically weighted regression (GWR) is an essential tool for estimating the spatial variation of relationships between dependent and independent variables in geographical contexts. However, GWR suffers from the problem that classical linear regressions, which compose the GWR model, are more prone to be underfitting, especially for significant volume and complex nonlinear data, causing inferior comparative performance. Nevertheless, some advanced models, such as the decision tree and the support vector machine, can learn features from complex data more effectively while they cannot provide explainable quantification for the spatial variation of localized relationships. To address the above issues, we propose a geographically gradient boosting weighted regression model, GWRBoost, that applies the localized additive model and gradient boosting optimization method to alleviate underfitting problems and retains explainable quantification capability for spatially-varying relationships between geographically located variables. Furthermore, we formulate the computation method of the Akaike information score for the proposed model to conduct the comparative analysis with the classic GWR algorithm. Simulation experiments and the empirical case study are applied to prove the efficient performance and practical value of GWRBoost. The results show that our proposed model can reduce the RMSE by 18.3\% in parameter estimation accuracy and AICc by 67.3\% in the goodness of fit.  ( 2 min )

In many applications, heterogeneous treatment effects on a censored response variable are of primary interest, and it is natural to evaluate the effects at different quantiles (e.g., median). The large number of potential effect modifiers, the unknown structure of the treatment effects, and the presence of right censoring pose significant challenges. In this paper, we develop a hybrid forest approach called Hybrid Censored Quantile Regression Forest (HCQRF) to assess the heterogeneous effects varying with high-dimensional variables. The hybrid estimation approach takes advantage of the random forests and the censored quantile regression. We propose a doubly-weighted estimation procedure that consists of a redistribution-of-mass weight to handle censoring and an adaptive nearest neighbor weight derived from the forest to handle high-dimensional effect functions. We propose a variable importance decomposition to measure the impact of a variable on the treatment effect function. Extensive simulation studies demonstrate the efficacy and stability of HCQRF. The result of the simulation study also convinces us of the effectiveness of the variable importance decomposition. We apply HCQRF to a clinical trial of colorectal cancer. We achieve insightful estimations of the treatment effect and meaningful variable importance results. The result of the variable importance also confirms the necessity of the decomposition.  ( 2 min )

We introduce the XPER (eXplainable PERformance) methodology to measure the specific contribution of the input features to the predictive or economic performance of a model. Our methodology offers several advantages. First, it is both model-agnostic and performance metric-agnostic. Second, XPER is theoretically founded as it is based on Shapley values. Third, the interpretation of the benchmark, which is inherent in any Shapley value decomposition, is meaningful in our context. Fourth, XPER is not plagued by model specification error, as it does not require re-estimating the model. Fifth, it can be implemented either at the model level or at the individual level. In an application based on auto loans, we find that performance can be explained by a surprisingly small number of features. XPER decompositions are rather stable across metrics, yet some feature contributions switch sign across metrics. Our analysis also shows that explaining model forecasts and model performance are two distinct tasks.  ( 2 min )

Continuous-time Markov chains are used to model stochastic systems where transitions can occur at irregular times, e.g., birth-death processes, chemical reaction networks, population dynamics, and gene regulatory networks. We develop a method to learn a continuous-time Markov chain's transition rate functions from fully observed time series. In contrast with existing methods, our method allows for transition rates to depend nonlinearly on both state variables and external covariates. The Gillespie algorithm is used to generate trajectories of stochastic systems where propensity functions (reaction rates) are known. Our method can be viewed as the inverse: given trajectories of a stochastic reaction network, we generate estimates of the propensity functions. While previous methods used linear or log-linear methods to link transition rates to covariates, we use neural networks, increasing the capacity and potential accuracy of learned models. In the chemical context, this enables the method to learn propensity functions from non-mass-action kinetics. We test our method with synthetic data generated from a variety of systems with known transition rates. We show that our method learns these transition rates with considerably more accuracy than log-linear methods, in terms of mean absolute error between ground truth and predicted transition rates. We also demonstrate an application of our methods to open-loop control of a continuous-time Markov chain.  ( 2 min )

To apply federated learning to drug discovery we developed a novel platform in the context of European Innovative Medicines Initiative (IMI) project MELLODDY (grant n{\deg}831472), which was comprised of 10 pharmaceutical companies, academic research labs, large industrial companies and startups. The MELLODDY platform was the first industry-scale platform to enable the creation of a global federated model for drug discovery without sharing the confidential data sets of the individual partners. The federated model was trained on the platform by aggregating the gradients of all contributing partners in a cryptographic, secure way following each training iteration. The platform was deployed on an Amazon Web Services (AWS) multi-account architecture running Kubernetes clusters in private subnets. Organisationally, the roles of the different partners were codified as different rights and permissions on the platform and administrated in a decentralized way. The MELLODDY platform generated new scientific discoveries which are described in a companion paper.

This work proposes a universal and adaptive second-order method for minimizing second-order smooth, convex functions. Our algorithm achieves $O(\sigma / \sqrt{T})$ convergence when the oracle feedback is stochastic with variance $\sigma^2$, and improves its convergence to $O( 1 / T^3)$ with deterministic oracles, where $T$ is the number of iterations. Our method also interpolates these rates without knowing the nature of the oracle apriori, which is enabled by a parameter-free adaptive step-size that is oblivious to the knowledge of smoothness modulus, variance bounds and the diameter of the constrained set. To our knowledge, this is the first universal algorithm with such global guarantees within the second-order optimization literature.

We develop an optimization algorithm suitable for Bayesian learning in complex models. Our approach relies on natural gradient updates within a general black-box framework for efficient training with limited model-specific derivations. It applies within the class of exponential-family variational posterior distributions, for which we extensively discuss the Gaussian case for which the updates have a rather simple form. Our Quasi Black-box Variational Inference (QBVI) framework is readily applicable to a wide class of Bayesian inference problems and is of simple implementation as the updates of the variational posterior do not involve gradients with respect to the model parameters, nor the prescription of the Fisher information matrix. We develop QBVI under different hypotheses for the posterior covariance matrix, discuss details about its robust and feasible implementation, and provide a number of real-world applications to demonstrate its effectiveness.

We derive minimax adaptive rates for a new, broad class of Tikhonov-regularized learning problems in Hilbert scales under general source conditions. Our analysis does not require the regression function to be contained in the hypothesis class, and most notably does not employ the conventional \textit{a priori} assumptions on kernel eigendecay. Using the theory of interpolation, we demonstrate that the spectrum of the Mercer operator can be inferred in the presence of "tight'' $L^{\infty}$ embeddings of suitable Hilbert scales. Our analysis utilizes a new Fourier capacity condition, characterizes the optimal Lorentz range space of a modified Mercer operator in certain parameter regimes.

In supervised learning, it has been shown that label noise in the data can be interpolated without penalties on test accuracy. We show that interpolating label noise induces adversarial vulnerability, and prove the first theorem showing the relationship between label noise and adversarial risk for any data distribution. Our results are almost tight if we do not make any assumptions on the inductive bias of the learning algorithm. We then investigate how different components of this problem affect this result including properties of the distribution. We also discuss non-uniform label noise distributions; and prove a new theorem showing uniform label noise induces nearly as large an adversarial risk as the worst poisoning with the same noise rate. Then, we provide theoretical and empirical evidence that uniform label noise is more harmful than typical real-world label noise. Finally, we show how inductive biases amplify the effect of label noise and argue the need for future work in this direction.

We present a novel approach to probabilistic electricity price forecasting which utilizes distributional neural networks. The model structure is based on a deep neural network that contains a so-called probability layer. The network's output is a parametric distribution with 2 (normal) or 4 (Johnson's SU) parameters. In a forecasting study involving day-ahead electricity prices in the German market, our approach significantly outperforms state-of-the-art benchmarks, including LASSO-estimated regressions and deep neural networks combined with Quantile Regression Averaging. The obtained results not only emphasize the importance of higher moments when modeling volatile electricity prices, but also -- given that probabilistic forecasting is the essence of risk management -- provide important implications for managing portfolios in the power sector.

We generalize the classical universal approximation theorem for neural networks to the case of complex-valued neural networks. Precisely, we consider feedforward networks with a complex activation function $\sigma : \mathbb{C} \to \mathbb{C}$ in which each neuron performs the operation $\mathbb{C}^N \to \mathbb{C}, z \mapsto \sigma(b + w^T z)$ with weights $w \in \mathbb{C}^N$ and a bias $b \in \mathbb{C}$, and with $\sigma$ applied componentwise. We completely characterize those activation functions $\sigma$ for which the associated complex networks have the universal approximation property, meaning that they can uniformly approximate any continuous function on any compact subset of $\mathbb{C}^d$ arbitrarily well. Unlike the classical case of real networks, the set of "good activation functions" which give rise to networks with the universal approximation property differs significantly depending on whether one considers deep networks or shallow networks: For deep networks with at least two hidden layers, the universal approximation property holds as long as $\sigma$ is neither a polynomial, a holomorphic function, or an antiholomorphic function. Shallow networks, on the other hand, are universal if and only if the real part or the imaginary part of $\sigma$ is not a polyharmonic function.

We describe an algorithm that learns two-layer residual units using rectified linear unit (ReLU) activation: suppose the input $\mathbf{x}$ is from a distribution with support space $\mathbb{R}^d$ and the ground-truth generative model is a residual unit of this type, given by $\mathbf{y} = \boldsymbol{B}^\ast\left[\left(\boldsymbol{A}^\ast\mathbf{x}\right)^+ + \mathbf{x}\right]$, where ground-truth network parameters $\boldsymbol{A}^\ast \in \mathbb{R}^{d\times d}$ represent a full-rank matrix with nonnegative entries and $\boldsymbol{B}^\ast \in \mathbb{R}^{m\times d}$ is full-rank with $m \geq d$ and for $\boldsymbol{c} \in \mathbb{R}^d$, $[\boldsymbol{c}^{+}]_i = \max\{0, c_i\}$. We design layer-wise objectives as functionals whose analytic minimizers express the exact ground-truth network in terms of its parameters and nonlinearities. Following this objective landscape, learning residual units from finite samples can be formulated using convex optimization of a nonparametric function: for each layer, we first formulate the corresponding empirical risk minimization (ERM) as a positive semi-definite quadratic program (QP), then we show the solution space of the QP can be equivalently determined by a set of linear inequalities, which can then be efficiently solved by linear programming (LP). We further prove the strong statistical consistency of our algorithm, and demonstrate its robustness and sample efficiency through experimental results on synthetic data and a set of benchmark regression datasets.

While machine learning is traditionally a resource intensive task, embedded systems, autonomous navigation, and the vision of the Internet of Things fuel the interest in resource-efficient approaches. These approaches aim for a carefully chosen trade-off between performance and resource consumption in terms of computation and energy. The development of such approaches is among the major challenges in current machine learning research and key to ensure a smooth transition of machine learning technology from a scientific environment with virtually unlimited computing resources into everyday's applications. In this article, we provide an overview of the current state of the art of machine learning techniques facilitating these real-world requirements. In particular, we focus on deep neural networks (DNNs), the predominant machine learning models of the past decade. We give a comprehensive overview of the vast literature that can be mainly split into three non-mutually exclusive categories: (i) quantized neural networks, (ii) network pruning, and (iii) structural efficiency. These techniques can be applied during training or as post-processing, and they are widely used to reduce the computational demands in terms of memory footprint, inference speed, and energy efficiency. We also briefly discuss different concepts of embedded hardware for DNNs and their compatibility with machine learning techniques as well as potential for energy and latency reduction. We substantiate our discussion with experiments on well-known benchmark datasets using compression techniques (quantization, pruning) for a set of resource-constrained embedded systems, such as CPUs, GPUs and FPGAs. The obtained results highlight the difficulty of finding good trade-offs between resource efficiency and predictive performance.

We study time-inhomogeneous episodic reinforcement learning (RL) under general function approximation and sparse rewards. We design a new algorithm, Variance-weighted Optimistic $Q$-Learning (VO$Q$L), based on $Q$-learning and bound its regret assuming completeness and bounded Eluder dimension for the regression function class. As a special case, VO$Q$L achieves $\tilde{O}(d\sqrt{HT}+d^6H^{5})$ regret over $T$ episodes for a horizon $H$ MDP under ($d$-dimensional) linear function approximation, which is asymptotically optimal. Our algorithm incorporates weighted regression-based upper and lower bounds on the optimal value function to obtain this improved regret. The algorithm is computationally efficient given a regression oracle over the function class, making this the first computationally tractable and statistically optimal approach for linear MDPs.

We propose a principled way to define Gaussian process priors on various sets of unweighted graphs: directed or undirected, with or without loops. We endow each of these sets with a geometric structure, inducing the notions of closeness and symmetries, by turning them into a vertex set of an appropriate metagraph. Building on this, we describe the class of priors that respect this structure and are analogous to the Euclidean isotropic processes, like squared exponential or Mat\'ern. We propose an efficient computational technique for the ostensibly intractable problem of evaluating these priors' kernels, making such Gaussian processes usable within the usual toolboxes and downstream applications. We go further to consider sets of equivalence classes of unweighted graphs and define the appropriate versions of priors thereon. We prove a hardness result, showing that in this case, exact kernel computation cannot be performed efficiently. However, we propose a simple Monte Carlo approximation for handling moderately sized cases. Inspired by applications in chemistry, we illustrate the proposed techniques on a real molecular property prediction task in the small data regime.

How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational inference and learning algorithm that scales to large datasets and, under some mild differentiability conditions, even works in the intractable case. Our contributions are two-fold. First, we show that a reparameterization of the variational lower bound yields a lower bound estimator that can be straightforwardly optimized using standard stochastic gradient methods. Second, we show that for i.i.d. datasets with continuous latent variables per datapoint, posterior inference can be made especially efficient by fitting an approximate inference model (also called a recognition model) to the intractable posterior using the proposed lower bound estimator. Theoretical advantages are reflected in experimental results.

This work proposes the continuous conditional generative adversarial network (CcGAN), the first generative model for image generation conditional on continuous, scalar conditions (termed regression labels). Existing conditional GANs (cGANs) are mainly designed for categorical conditions (eg, class labels); conditioning on regression labels is mathematically distinct and raises two fundamental problems:(P1) Since there may be very few (even zero) real images for some regression labels, minimizing existing empirical versions of cGAN losses (aka empirical cGAN losses) often fails in practice;(P2) Since regression labels are scalar and infinitely many, conventional label input methods are not applicable. The proposed CcGAN solves the above problems, respectively, by (S1) reformulating existing empirical cGAN losses to be appropriate for the continuous scenario; and (S2) proposing a naive label input (NLI) method and an improved label input (ILI) method to incorporate regression labels into the generator and the discriminator. The reformulation in (S1) leads to two novel empirical discriminator losses, termed the hard vicinal discriminator loss (HVDL) and the soft vicinal discriminator loss (SVDL) respectively, and a novel empirical generator loss. The error bounds of a discriminator trained with HVDL and SVDL are derived under mild assumptions in this work. Two new benchmark datasets (RC-49 and Cell-200) and a novel evaluation metric (Sliding Fr\'echet Inception Distance) are also proposed for this continuous scenario. Our experiments on the Circular 2-D Gaussians, RC-49, UTKFace, Cell-200, and Steering Angle datasets show that CcGAN is able to generate diverse, high-quality samples from the image distribution conditional on a given regression label. Moreover, in these experiments, CcGAN substantially outperforms cGAN both visually and quantitatively.

Causal discovery for quantitative data has been extensively studied but less is known for categorical data. We propose a novel causal model for categorical data based on a new classification model, termed classification with optimal label permutation (COLP). By design, COLP is a parsimonious classifier, which gives rise to a provably identifiable causal model. A simple learning algorithm via comparing likelihood functions of causal and anti-causal models suffices to learn the causal direction. Through experiments with synthetic and real data, we demonstrate the favorable performance of the proposed COLP-based causal model compared to state-of-the-art methods. We also make available an accompanying R package COLP, which contains the proposed causal discovery algorithm and a benchmark dataset of categorical cause-effect pairs.

At eBay, there are thousands of product health metrics for different domain teams to monitor. We built a two-phase alerting system to notify users with actionable alerts based on anomaly detection and alert retrieval. In the first phase, we developed an efficient anomaly detection algorithm, called Moving Metric Detector (MMD), to identify potential alerts among metrics with distribution agnostic criteria. In the second alert retrieval phase, we built additional logic with feedbacks to select valid actionable alerts with point-wise ranking model and business rules. Compared with other trend and seasonality decomposition methods, our decomposer is faster and better to detect anomalies in unsupervised cases. Our two-phase approach dramatically improves alert precision and avoids alert spamming in eBay production.

Although understanding and characterizing causal effects have become essential in observational studies, it is challenging when the confounders are high-dimensional. In this article, we develop a general framework $\textit{CausalEGM}$ for estimating causal effects by encoding generative modeling, which can be applied in both binary and continuous treatment settings. Under the potential outcome framework with unconfoundedness, we establish a bidirectional transformation between the high-dimensional confounders space and a low-dimensional latent space where the density is known (e.g., multivariate normal distribution). Through this, CausalEGM simultaneously decouples the dependencies of confounders on both treatment and outcome and maps the confounders to the low-dimensional latent space. By conditioning on the low-dimensional latent features, CausalEGM can estimate the causal effect for each individual or the average causal effect within a population. Our theoretical analysis shows that the excess risk for CausalEGM can be bounded through empirical process theory. Under an assumption on encoder-decoder networks, the consistency of the estimate can be guaranteed. In a series of experiments, CausalEGM demonstrates superior performance over existing methods for both binary and continuous treatments. Specifically, we find CausalEGM to be substantially more powerful than competing methods in the presence of large sample sizes and high dimensional confounders. The software of CausalEGM is freely available at https://github.com/SUwonglab/CausalEGM.

Despite the significant interest and progress in reinforcement learning (RL) problems with adversarial corruption, current works are either confined to the linear setting or lead to an undesired $\tilde{O}(\sqrt{T}\zeta)$ regret bound, where $T$ is the number of rounds and $\zeta$ is the total amount of corruption. In this paper, we consider the contextual bandit with general function approximation and propose a computationally efficient algorithm to achieve a regret of $\tilde{O}(\sqrt{T}+\zeta)$. The proposed algorithm relies on the recently developed uncertainty-weighted least-squares regression from linear contextual bandit \citep{he2022nearly} and a new weighted estimator of uncertainty for the general function class. In contrast to the existing analysis that heavily relies on the linear structure, we develop a novel technique to control the sum of weighted uncertainty, thus establishing the final regret bounds. We then generalize our algorithm to the episodic MDP setting and first achieve an additive dependence on the corruption level $\zeta$ in the scenario of general function approximation. Notably, our algorithms achieve regret bounds either nearly match the performance lower bound or improve the existing methods for all the corruption levels and in both known and unknown $\zeta$ cases.

We study reinforcement learning (RL) with linear function approximation. For episodic time-inhomogeneous linear Markov decision processes (linear MDPs) whose transition dynamic can be parameterized as a linear function of a given feature mapping, we propose the first computationally efficient algorithm that achieves the nearly minimax optimal regret $\tilde O(d\sqrt{H^3K})$, where $d$ is the dimension of the feature mapping, $H$ is the planning horizon, and $K$ is the number of episodes. Our algorithm is based on a weighted linear regression scheme with a carefully designed weight, which depends on a new variance estimator that (1) directly estimates the variance of the \emph{optimal} value function, (2) monotonically decreases with respect to the number of episodes to ensure a better estimation accuracy, and (3) uses a rare-switching policy to update the value function estimator to control the complexity of the estimated value function class. Our work provides a complete answer to optimal RL with linear MDPs, and the developed algorithm and theoretical tools may be of independent interest.

Mapping between discrete and continuous distributions is a difficult task and many have had to resort to heuristical approaches. We propose a tessellation-based approach that directly learns quantization boundaries in a continuous space, complete with exact likelihood evaluations. This is done through constructing normalizing flows on convex polytopes parameterized using a simple homeomorphism with an efficient log determinant Jacobian. We explore this approach in two application settings, mapping from discrete to continuous and vice versa. Firstly, a Voronoi dequantization allows automatically learning quantization boundaries in a multidimensional space. The location of boundaries and distances between regions can encode useful structural relations between the quantized discrete values. Secondly, a Voronoi mixture model has near-constant computation cost for likelihood evaluation regardless of the number of mixture components. Empirically, we show improvements over existing methods across a range of structured data modalities.

Spectral risk objectives - also called $L$-risks - allow for learning systems to interpolate between optimizing average-case performance (as in empirical risk minimization) and worst-case performance on a task. We develop stochastic algorithms to optimize these quantities by characterizing their subdifferential and addressing challenges such as biasedness of subgradient estimates and non-smoothness of the objective. We show theoretically and experimentally that out-of-the-box approaches such as stochastic subgradient and dual averaging are hindered by bias and that our approach outperforms them.

This paper provides estimation and inference methods for an identified set's boundary (i.e., support function) where the selection among a very large number of covariates is based on modern regularized tools. I characterize the boundary using a semiparametric moment equation. Combining Neyman-orthogonality and sample splitting ideas, I construct a root-N consistent, uniformly asymptotically Gaussian estimator of the boundary and propose a multiplier bootstrap procedure to conduct inference. I apply this result to the partially linear model, the partially linear IV model and the average partial derivative with an interval-valued outcome.

The spectra of random feature matrices provide essential information on the conditioning of the linear system used in random feature regression problems and are thus connected to the consistency and generalization of random feature models. Random feature matrices are asymmetric rectangular nonlinear matrices depending on two input variables, the data and the weights, which can make their characterization challenging. We consider two settings for the two input variables, either both are random variables or one is a random variable and the other is well-separated, i.e. there is a minimum distance between points. With conditions on the dimension, the complexity ratio, and the sampling variance, we show that the singular values of these matrices concentrate near their full expectation and near one with high-probability. In particular, since the dimension depends only on the logarithm of the number of random weights or the number of data points, our complexity bounds can be achieved even in moderate dimensions for many practical setting. The theoretical results are verified with numerical experiments.

Despite the empirical successes of self-supervised learning (SSL) methods, it is unclear what characteristics of their representations lead to high downstream accuracies. In this work, we characterize properties that SSL representations should ideally satisfy. Specifically, we prove necessary and sufficient conditions such that for any task invariant to given data augmentations, desired probes (e.g., linear or MLP) trained on that representation attain perfect accuracy. These requirements lead to a unifying conceptual framework for improving existing SSL methods and deriving new ones. For contrastive learning, our framework prescribes simple but significant improvements to previous methods such as using asymmetric projection heads. For non-contrastive learning, we use our framework to derive a simple and novel objective. Our resulting SSL algorithms outperform baselines on standard benchmarks, including SwAV+multicrops on linear probing of ImageNet.

Automated decision support systems promise to help human experts solve tasks more efficiently and accurately. However, existing systems typically require experts to understand when to cede agency to the system or when to exercise their own agency. Moreover, if the experts develop a misplaced trust in the system, their performance may worsen. In this work, we lift the above requirement and develop automated decision support systems that, by design, do not require experts to understand when each of their recommendations is accurate to improve their performance. To this end, we focus on multiclass classification tasks and consider an automated decision support system that, for each data sample, uses a classifier to recommend a subset of labels to a human expert. We first show that, by looking at the design of such a system from the perspective of conformal prediction, we can ensure that the probability that the recommended subset of labels contains the true label matches almost exactly a target probability value with high probability. Then, we develop an efficient and near-optimal search method to find the target probability value under which the expert benefits the most from using our system. Experiments on synthetic and real data demonstrate that our system can help the experts make more accurate predictions and is robust to the accuracy of the classifier it relies on.

This paper presents SVAM (Sequential Variance-Altered MLE), a unified framework for learning generalized linear models under adversarial label corruption in training data. SVAM extends to tasks such as least squares regression, logistic regression, and gamma regression, whereas many existing works on learning with label corruptions focus only on least squares regression. SVAM is based on a novel variance reduction technique that may be of independent interest and works by iteratively solving weighted MLEs over variance-altered versions of the GLM objective. SVAM offers provable model recovery guarantees superior to the state-of-the-art for robust regression even when a constant fraction of training labels are adversarially corrupted. SVAM also empirically outperforms several existing problem-specific techniques for robust regression and classification. Code for SVAM is available at https://github.com/purushottamkar/svam/

Bayesian optimization (BO) is one of the most effective methods for closed-loop experimental design and black-box optimization. However, a key limitation of BO is that it is an inherently sequential algorithm (one experiment is proposed per round) and thus cannot directly exploit high-throughput (parallel) experiments. Diverse modifications to the BO framework have been proposed in the literature to enable exploitation of parallel experiments but such approaches are limited in the degree of parallelization that they can achieve and can lead to redundant experiments (thus wasting resources and potentially compromising performance). In this work, we present new parallel BO paradigms that exploit the structure of the system to partition the design space. Specifically, we propose an approach that partitions the design space by following the level sets of the performance function and an approach that exploits partially-separable structures of the performance function found. We conduct extensive numerical experiments using a reactor case study to benchmark the effectiveness of these approaches against a variety of state-of-the-art parallel algorithms reported in the literature. Our computational results show that our approaches significantly reduce the required search time and increase the probability of finding a global (rather than local) solution.

While the interaction of ultra-intense ultra-short laser pulses with near- and overcritical plasmas cannot be directly observed, experimentally accessible quantities (observables) often only indirectly give information about the underlying plasma dynamics. Furthermore, the information provided by observables is incomplete, making the inverse problem highly ambiguous. Therefore, in order to infer plasma dynamics as well as experimental parameter, the full distribution over parameters given an observation needs to considered, requiring that models are flexible and account for the information lost in the forward process. Invertible Neural Networks (INNs) have been designed to efficiently model both the forward and inverse process, providing the full conditional posterior given a specific measurement. In this work, we benchmark INNs and standard statistical methods on synthetic electron spectra. First, we provide experimental results with respect to the acceptance rate, where our results show increases in acceptance rates up to a factor of 10. Additionally, we show that this increased acceptance rate also results in an increased speed-up for INNs to the same extent. Lastly, we propose a composite algorithm that utilizes INNs and promises low runtimes while preserving high accuracy.

The notion of a Moreau envelope is central to the analysis of first-order optimization algorithms for machine learning. Yet, it has not been developed and extended to be applied to a deep network and, more broadly, to a machine learning system with a differentiable programming implementation. We define a compositional calculus adapted to Moreau envelopes and show how to integrate it within differentiable programming. The proposed framework casts in a mathematical optimization framework several variants of gradient back-propagation related to the idea of the propagation of virtual targets.

Estimating the causal effects of a spatially-varying intervention on a spatially-varying outcome may be subject to non-local confounding (NLC), a phenomenon that can bias estimates when the treatments and outcomes of a given unit are dictated in part by the covariates of other nearby units. In particular, NLC is a challenge for evaluating the effects of environmental policies and climate events on health-related outcomes such as air pollution exposure. This paper first formalizes NLC using the potential outcomes framework, providing a comparison with the related phenomenon of causal interference. Then, it proposes a broadly applicable framework, termed "weather2vec", that uses the theory of balancing scores to learn representations of non-local information into a scalar or vector defined for each observational unit, which is subsequently used to adjust for confounding in conjunction with causal inference methods. The framework is evaluated in a simulation study and two case studies on air pollution where the weather is an (inherently regional) known confounder.

The viral load of patients infected with SARS-CoV-2 varies on logarithmic scales and possibly with age. Controversial claims have been made in the literature regarding whether the viral load distribution actually depends on the age of the patients. Such a dependence would have implications for the COVID-19 spreading mechanism, the age-dependent immune system reaction, and thus for policymaking. We hereby develop a method to analyze viral-load distribution data as a function of the patients' age within a flexible, non-parametric, hierarchical, Bayesian, and causal model. The causal nature of the developed reconstruction additionally allows to test for bias in the data. This could be due to, e.g., bias in patient-testing and data collection or systematic errors in the measurement of the viral load. We perform these tests by calculating the Bayesian evidence for each implied possible causal direction. The possibility of testing for bias in data collection and identifying causal directions can be very useful in other contexts as well. For this reason we make our model freely available. When applied to publicly available age and SARS-CoV-2 viral load data, we find a statistically significant increase in the viral load with age, but only for one of the two analyzed datasets. If we consider this dataset, and based on the current understanding of viral load's impact on patients' infectivity, we expect a non-negligible difference in the infectivity of different age groups. This difference is nonetheless too small to justify considering any age group as noninfectious.

We derive minimax testing errors in a distributed framework where the data is split over multiple machines and their communication to a central machine is limited to $b$ bits. We investigate both the $d$- and infinite-dimensional signal detection problem under Gaussian white noise. We also derive distributed testing algorithms reaching the theoretical lower bounds. Our results show that distributed testing is subject to fundamentally different phenomena that are not observed in distributed estimation. Among our findings, we show that testing protocols that have access to shared randomness can perform strictly better in some regimes than those that do not. We also observe that consistent nonparametric distributed testing is always possible, even with as little as $1$-bit of communication and the corresponding test outperforms the best local test using only the information available at a single local machine. Furthermore, we also derive adaptive nonparametric distributed testing strategies and the corresponding theoretical lower bounds.

Particle dynamics and multi-agent systems provide accurate dynamical models for studying and forecasting the behavior of complex interacting systems. They often take the form of a high-dimensional system of differential equations parameterized by an interaction kernel that models the underlying attractive or repulsive forces between agents. We consider the problem of constructing a data-based approximation of the interacting forces directly from noisy observations of the paths of the agents in time. The learned interaction kernels are then used to predict the agents behavior over a longer time interval. The approximation developed in this work uses a randomized feature algorithm and a sparse randomized feature approach. Sparsity-promoting regression provides a mechanism for pruning the randomly generated features which was observed to be beneficial when one has limited data, in particular, leading to less overfitting than other approaches. In addition, imposing sparsity reduces the kernel evaluation cost which significantly lowers the simulation cost for forecasting the multi-agent systems. Our method is applied to various examples, including first-order systems with homogeneous and heterogeneous interactions, second order homogeneous systems, and a new sheep swarming system.

In the classical setting of self-selection, the goal is to learn $k$ models, simultaneously from observations $(x^{(i)}, y^{(i)})$ where $y^{(i)}$ is the output of one of $k$ underlying models on input $x^{(i)}$. In contrast to mixture models, where we observe the output of a randomly selected model, here the observed model depends on the outputs themselves, and is determined by some known selection criterion. For example, we might observe the highest output, the smallest output, or the median output of the $k$ models. In known-index self-selection, the identity of the observed model output is observable; in unknown-index self-selection, it is not. Self-selection has a long history in Econometrics and applications in various theoretical and applied fields, including treatment effect estimation, imitation learning, learning from strategically reported data, and learning from markets at disequilibrium. In this work, we present the first computationally and statistically efficient estimation algorithms for the most standard setting of this problem where the models are linear. In the known-index case, we require poly$(1/\varepsilon, k, d)$ sample and time complexity to estimate all model parameters to accuracy $\varepsilon$ in $d$ dimensions, and can accommodate quite general selection criteria. In the more challenging unknown-index case, even the identifiability of the linear models (from infinitely many samples) was not known. We show three results in this case for the commonly studied $\max$ self-selection criterion: (1) we show that the linear models are indeed identifiable, (2) for general $k$ we provide an algorithm with poly$(d) \exp(\text{poly}(k))$ sample and time complexity to estimate the regression parameters up to error $1/\text{poly}(k)$, and (3) for $k = 2$ we provide an algorithm for any error $\varepsilon$ and poly$(d, 1/\varepsilon)$ sample and time complexity.

Remaining Useful Life (RUL) estimation plays a critical role in Prognostics and Health Management (PHM). Traditional machine health maintenance systems are often costly, requiring sufficient prior expertise, and are difficult to fit into highly complex and changing industrial scenarios. With the widespread deployment of sensors on industrial equipment, building the Industrial Internet of Things (IIoT) to interconnect these devices has become an inexorable trend in the development of the digital factory. Using the device's real-time operational data collected by IIoT to get the estimated RUL through the RUL prediction algorithm, the PHM system can develop proactive maintenance measures for the device, thus, reducing maintenance costs and decreasing failure times during operation. This paper carries out research into the remaining useful life prediction model for multi-sensor devices in the IIoT scenario. We investigated the mainstream RUL prediction models and summarized the basic steps of RUL prediction modeling in this scenario. On this basis, a data-driven approach for RUL estimation is proposed in this paper. It employs a Multi-Head Attention Mechanism to fuse the multi-dimensional time-series data output from multiple sensors, in which the attention on features is used to capture the interactions between features and attention on sequences is used to learn the weights of time steps. Then, the Long Short-Term Memory Network is applied to learn the features of time series. We evaluate the proposed model on two benchmark datasets (C-MAPSS and PHM08), and the results demonstrate that it outperforms the state-of-art models. Moreover, through the interpretability of the multi-head attention mechanism, the proposed model can provide a preliminary explanation of engine degradation. Therefore, this approach is promising for predictive maintenance in IIoT scenarios.

We consider resource management problems in multi-user wireless networks, which can be cast as optimizing a network-wide utility function, subject to constraints on the long-term average performance of users across the network. We propose a state-augmented algorithm for solving the aforementioned radio resource management (RRM) problems, where, alongside the instantaneous network state, the RRM policy takes as input the set of dual variables corresponding to the constraints, which evolve depending on how much the constraints are violated during execution. We theoretically show that the proposed state-augmented algorithm leads to feasible and near-optimal RRM decisions. Moreover, focusing on the problem of wireless power control using graph neural network (GNN) parameterizations, we demonstrate the superiority of the proposed RRM algorithm over baseline methods across a suite of numerical experiments.

Estimating information-theoretic quantities such as entropy and mutual information is central to many problems in statistics and machine learning, but challenging in high dimensions. This paper presents estimators of entropy via inference (EEVI), which deliver upper and lower bounds on many information quantities for arbitrary variables in a probabilistic generative model. These estimators use importance sampling with proposal distribution families that include amortized variational inference and sequential Monte Carlo, which can be tailored to the target model and used to squeeze true information values with high accuracy. We present several theoretical properties of EEVI and demonstrate scalability and efficacy on two problems from the medical domain: (i) in an expert system for diagnosing liver disorders, we rank medical tests according to how informative they are about latent diseases, given a pattern of observed symptoms and patient attributes; and (ii) in a differential equation model of carbohydrate metabolism, we find optimal times to take blood glucose measurements that maximize information about a diabetic patient's insulin sensitivity, given their meal and medication schedule.

We propose a semiparametric test to evaluate (i) whether different instruments induce subpopulations of compliers with the same observable characteristics on average, and (ii) whether compliers have observable characteristics that are the same as the full population on average. The test is a flexible robustness check for the external validity of instruments. We use it to reinterpret the difference in LATE estimates that Angrist and Evans (1998) obtain when using different instrumental variables. To justify the test, we characterize the doubly robust moment for Abadie (2003)'s class of complier parameters, and we analyze a machine learning update to $\kappa$ weighting.

The theoretical advances on the properties of scoring rules over the past decades have broadened the use of scoring rules in probabilistic forecasting. In meteorological forecasting, statistical postprocessing techniques are essential to improve the forecasts made by deterministic physical models. Numerous state-of-the-art statistical postprocessing techniques are based on distributional regression evaluated with the Continuous Ranked Probability Score (CRPS). However, theoretical properties of such evaluation with the CRPS have solely considered the unconditional framework (i.e. without covariates) and infinite sample sizes. We extend these results and study the rate of convergence in terms of CRPS of distributional regression methods. We find the optimal minimax rate of convergence for a given class of distributions and show that the k-nearest neighbor method and the kernel method reach this optimal minimax rate.

This paper provides theoretical insights into why and how deep learning can generalize well, despite its large capacity, complexity, possible algorithmic instability, nonrobustness, and sharp minima, responding to an open question in the literature. We also discuss approaches to provide non-vacuous generalization guarantees for deep learning. Based on theoretical observations, we propose new open problems and discuss the limitations of our results.

Neural networks are becoming increasingly popular in applications, but our mathematical understanding of their potential and limitations is still limited. In this paper, we further this understanding by developing statistical guarantees for sparse deep learning. In contrast to previous work, we consider different types of sparsity, such as few active connections, few active nodes, and other norm-based types of sparsity. Moreover, our theories cover important aspects that previous theories have neglected, such as multiple outputs, regularization, and l2-loss. The guarantees have a mild dependence on network widths and depths, which means that they support the application of sparse but wide and deep networks from a statistical perspective. Some of the concepts and tools that we use in our derivations are uncommon in deep learning and, hence, might be of additional interest.

Automated rule checking (ARC), which is expected to promote the efficiency of the compliance checking process in the architecture, engineering, and construction (AEC) industry, is gaining increasing attention. Throwing light on the ARC application hotspots and forecasting its trends are useful to the related research and drive innovations. Therefore, this study takes the patents from the database of the Derwent Innovations Index database (DII) and China national knowledge infrastructure (CNKI) as data sources and then carried out a three-step analysis including (1) quantitative characteristics (i.e., annual distribution analysis) of patents, (2) identification of ARC topics using a latent Dirichlet allocation (LDA) and, (3) SNA-based co-occurrence analysis of ARC topics. The results show that the research hotspots and trends of Chinese and English patents are different. The contributions of this study have three aspects: (1) an approach to a comprehensive analysis of patents by integrating multiple text mining methods (i.e., SNA and LDA) is introduced ; (2) the application hotspots and development trends of ARC are reviewed based on patent analysis; and (3) a signpost for technological development and innovation of ARC is provided.

Current research on users` perspectives of cyber security and privacy related to traditional and smart devices at home is very active, but the focus is often more on specific modern devices such as mobile and smart IoT devices in a home context. In addition, most were based on smaller-scale empirical studies such as online surveys and interviews. We endeavour to fill these research gaps by conducting a larger-scale study based on a real-world dataset of 413,985 tweets posted by non-expert users on Twitter in six months of three consecutive years (January and February in 2019, 2020 and 2021). Two machine learning-based classifiers were developed to identify the 413,985 tweets. We analysed this dataset to understand non-expert users` cyber security and privacy perspectives, including the yearly trend and the impact of the COVID-19 pandemic. We applied topic modelling, sentiment analysis and qualitative analysis of selected tweets in the dataset, leading to various interesting findings. For instance, we observed a 54% increase in non-expert users` tweets on cyber security and/or privacy related topics in 2021, compared to before the start of global COVID-19 lockdowns (January 2019 to February 2020). We also observed an increased level of help-seeking tweets during the COVID-19 pandemic. Our analysis revealed a diverse range of topics discussed by non-expert users across the three years, including VPNs, Wi-Fi, smartphones, laptops, smart home devices, financial security, and security and privacy issues involving different stakeholders. Overall negative sentiment was observed across almost all topics non-expert users discussed on Twitter in all the three years. Our results confirm the multi-faceted nature of non-expert users` perspectives on cyber security and privacy and call for more holistic, comprehensive and nuanced research on different facets of such perspectives.

We apply reinforcement learning (RL) to robotics. One of the drawbacks of traditional RL algorithms has been their poor sample efficiency. One approach to improve the sample efficiency is model-based RL. In our model-based RL algorithm, we learn a model of the environment, use it to generate imaginary trajectories and backpropagate through them to update the policy, exploiting the differentiability of the model. Intuitively, learning more accurate models should lead to better performance. Recently, there has been growing interest in developing better deep neural network based dynamics models for physical systems, through better inductive biases. We focus on robotic systems undergoing rigid body motion. We compare two versions of our model-based RL algorithm, one which uses a standard deep neural network based dynamics model and the other which uses a much more accurate, physics-informed neural network based dynamics model. We show that, in model-based RL, model accuracy mainly matters in environments that are sensitive to initial conditions. In these environments, the physics-informed version of our algorithm achieves significantly better average-return and sample efficiency. In environments that are not sensitive to initial conditions, both versions of our algorithm achieve similar average-return, while the physics-informed version achieves better sample efficiency. We measure the sensitivity to initial conditions using the finite-time maximal Lyapunov exponent. We also show that, in challenging environments, where we need a lot of samples to learn, physics-informed model-based RL can achieve better average-return than state-of-the-art model-free RL algorithms such as Soft Actor-Critic, by generating accurate imaginary data.

Despite a surge of recent advances in promoting machine Learning (ML) fairness, the existing mainstream approaches mostly require retraining or finetuning the entire weights of the neural network to meet the fairness criteria. However, this is often infeasible in practice for those large-scale trained models due to large computational and storage costs, low data efficiency, and model privacy issues. In this paper, we propose a new generic fairness learning paradigm, called FairReprogram, which incorporates the model reprogramming technique. Specifically, FairReprogram considers the case where models can not be changed and appends to the input a set of perturbations, called the fairness trigger, which is tuned towards the fairness criteria under a min-max formulation. We further introduce an information-theoretic framework that explains why and under what conditions fairness goals can be achieved using the fairness trigger. We show both theoretically and empirically that the fairness trigger can effectively obscure demographic biases in the output prediction of fixed ML models by providing false demographic information that hinders the model from utilizing the correct demographic information to make the prediction. Extensive experiments on both NLP and CV datasets demonstrate that our method can achieve better fairness improvements than retraining-based methods with far less data dependency under two widely-used fairness criteria. Codes are available at https://github.com/UCSB-NLP-Chang/Fairness-Reprogramming.git.

This work proposes a universal and adaptive second-order method for minimizing second-order smooth, convex functions. Our algorithm achieves $O(\sigma / \sqrt{T})$ convergence when the oracle feedback is stochastic with variance $\sigma^2$, and improves its convergence to $O( 1 / T^3)$ with deterministic oracles, where $T$ is the number of iterations. Our method also interpolates these rates without knowing the nature of the oracle apriori, which is enabled by a parameter-free adaptive step-size that is oblivious to the knowledge of smoothness modulus, variance bounds and the diameter of the constrained set. To our knowledge, this is the first universal algorithm with such global guarantees within the second-order optimization literature.

Transformer networks have seen great success in natural language processing and machine vision, where task objectives such as next word prediction and image classification benefit from nuanced context sensitivity across high-dimensional inputs. However, there is an ongoing debate about how and when transformers can acquire highly structured behavior and achieve systematic generalization. Here, we explore how well a causal transformer can perform a set of algorithmic tasks, including copying, sorting, and hierarchical compositions of these operations. We demonstrate strong generalization to sequences longer than those used in training by replacing the standard positional encoding typically used in transformers with labels arbitrarily paired with items in the sequence. We search for the layer and head configuration sufficient to solve these tasks, then probe for signs of systematic processing in latent representations and attention patterns. We show that two-layer transformers learn reliable solutions to multi-level problems, develop signs of task decomposition, and encode input items in a way that encourages the exploitation of shared computation across related tasks. These results provide key insights into how attention layers support structured computation both within a task and across multiple tasks.

We propose a principled way to define Gaussian process priors on various sets of unweighted graphs: directed or undirected, with or without loops. We endow each of these sets with a geometric structure, inducing the notions of closeness and symmetries, by turning them into a vertex set of an appropriate metagraph. Building on this, we describe the class of priors that respect this structure and are analogous to the Euclidean isotropic processes, like squared exponential or Mat\'ern. We propose an efficient computational technique for the ostensibly intractable problem of evaluating these priors' kernels, making such Gaussian processes usable within the usual toolboxes and downstream applications. We go further to consider sets of equivalence classes of unweighted graphs and define the appropriate versions of priors thereon. We prove a hardness result, showing that in this case, exact kernel computation cannot be performed efficiently. However, we propose a simple Monte Carlo approximation for handling moderately sized cases. Inspired by applications in chemistry, we illustrate the proposed techniques on a real molecular property prediction task in the small data regime.

Path prediction is an essential task for many real-world Cyber-Physical Systems (CPS) applications, from autonomous driving and traffic monitoring/management to pedestrian/worker safety. These real-world CPS applications need a robust, lightweight path prediction that can provide a universal network architecture for multiple subjects (e.g., pedestrians and vehicles) from different perspectives. However, most existing algorithms are tailor-made for a unique subject with a specific camera perspective and scenario. This article presents Pishgu, a universal lightweight network architecture, as a robust and holistic solution for path prediction. Pishgu's architecture can adapt to multiple path prediction domains with different subjects (vehicles, pedestrians), perspectives (bird's-eye, high-angle), and scenes (sidewalk, highway). Our proposed architecture captures the inter-dependencies within the subjects in each frame by taking advantage of Graph Isomorphism Networks and the attention module. We separately train and evaluate the efficacy of our architecture on three different CPS domains across multiple perspectives (vehicle bird's-eye view, pedestrian bird's-eye view, and human high-angle view). Pishgu outperforms state-of-the-art solutions in the vehicle bird's-eye view domain by 42% and 61% and pedestrian high-angle view domain by 23% and 22% in terms of ADE and FDE, respectively. Additionally, we analyze the domain-specific details for various datasets to understand their effect on path prediction and model interpretation. Finally, we report the latency and throughput for all three domains on multiple embedded platforms showcasing the robustness and adaptability of Pishgu for real-world integration into CPS applications.

Pretrained Transformers achieve state-of-the-art performance in various code-processing tasks but may be too large to be deployed. As software development tools often incorporate modules for various purposes which may potentially use a single instance of the pretrained model, it appears relevant to utilize parameter-efficient fine-tuning for the pretrained models of code. In this work, we test two widely used approaches, adapters and LoRA, which were initially tested on NLP tasks, on four code-processing tasks. We find that though the efficient fine-tuning approaches may achieve comparable or higher performance than the standard, full, fine-tuning in code understanding tasks, they underperform full fine-tuning in code-generative tasks. These results underline the importance of testing efficient fine-tuning approaches on other domains than NLP and motivate future research in efficient fine-tuning for source code.

For arbitrary two probability measures on real d-space with given means and variances (covariance matrices), we provide lower bounds for their total variation distance.

Wasserstein distributionally robust optimization (DRO) has found success in operations research and machine learning applications as a powerful means to obtain solutions with favourable out-of-sample performances. Two compelling explanations for the success are the generalization bounds derived from Wasserstein DRO and the equivalency between Wasserstein DRO and the regularization scheme commonly applied in machine learning. Existing results on generalization bounds and the equivalency to regularization are largely limited to the setting where the Wasserstein ball is of a certain type and the decision criterion takes certain forms of an expected function. In this paper, we show that by focusing on Wasserstein DRO problems with affine decision rules, it is possible to obtain generalization bounds and the equivalency to regularization in a significantly broader setting where the Wasserstein ball can be of a general type and the decision criterion can be a general measure of risk, i.e., nonlinear in distributions. This allows for accommodating many important classification, regression, and risk minimization applications that have not been addressed to date using Wasserstein DRO. Our results are strong in that the generalization bounds do not suffer from the curse of dimensionality and the equivalency to regularization is exact. As a byproduct, our regularization results broaden considerably the class of Wasserstein DRO models that can be solved efficiently via regularization formulations.

Graphs are ubiquitous in nature and can therefore serve as models for many practical but also theoretical problems. For this purpose, they can be defined as many different types which suitably reflect the individual contexts of the represented problem. To address cutting-edge problems based on graph data, the research field of Graph Neural Networks (GNNs) has emerged. Despite the field's youth and the speed at which new models are developed, many recent surveys have been published to keep track of them. Nevertheless, it has not yet been gathered which GNN can process what kind of graph types. In this survey, we give a detailed overview of already existing GNNs and, unlike previous surveys, categorize them according to their ability to handle different graph types and properties. We consider GNNs operating on static and dynamic graphs of different structural constitutions, with or without node or edge attributes. Moreover, we distinguish between GNN models for discrete-time or continuous-time dynamic graphs and group the models according to their architecture. We find that there are still graph types that are not or only rarely covered by existing GNN models. We point out where models are missing and give potential reasons for their absence.

As the complexity of modern manufacturing technologies increases, traditional trial-and-error design, which requires iterative and expensive simulations, becomes unreliable and time-consuming. This difficulty is especially significant for the design of hot-stamped safety-critical components, such as ultra-high-strength-steel (UHSS) B-pillars. To reduce design costs and ensure manufacturability, scalar-based Artificial-Intelligence-empowered surrogate modelling (SAISM) has been investigated and implemented, which can allow real-time manufacturability-constrained structural design optimisation. However, SAISM suffers from low accuracy and generalisability, and usually requires a high volume of training samples. To solve this problem, an image-based Artificial-intelligence-empowered surrogate modelling (IAISM) approach is developed in this research, in combination with an auto-decoder-based blank shape generator. The IAISM, which is based on a Mask-Res-SE-U-Net architecture, is trained to predict the full thinning field of the as-formed component given an arbitrary blank shape. Excellent prediction performance of IAISM is achieved with only 256 training samples, which indicates the small-data learning nature of engineering AI tasks using structured data representations. The trained auto-decoder, trained Mask-Res-SE-U-Net, and Adam optimiser are integrated to conduct blank optimisation by modifying the latent vector. The optimiser can rapidly find blank shapes that satisfy manufacturability criteria. As a high-accuracy and generalisable surrogate modelling and optimisation tool, the proposed pipeline is promising to be integrated into a full-chain digital twin to conduct real-time, multi-objective design optimisation.

In recent times, Variational Quantum Circuits (VQC) have been widely adopted to different tasks in machine learning such as Combinatorial Optimization and Supervised Learning. With the growing interest, it is pertinent to study the boundaries of the classical simulation of VQCs to effectively benchmark the algorithms. Classically simulating VQCs can also provide the quantum algorithms with a better initialization reducing the amount of quantum resources needed to train the algorithm. This manuscript proposes an algorithm that compresses the quantum state within a circuit using a tensor ring representation which allows for the implementation of VQC based algorithms on a classical simulator at a fraction of the usual storage and computational complexity. Using the tensor ring approximation of the input quantum state, we propose a method that applies the parametrized unitary operations while retaining the low-rank structure of the tensor ring corresponding to the transformed quantum state, providing an exponential improvement of storage and computational time in the number of qubits and layers. This approximation is used to implement the tensor ring VQC for the task of supervised learning on Iris and MNIST datasets to demonstrate the comparable performance as that of the implementations from classical simulator using Matrix Product States.

Estimating the causal effects of a spatially-varying intervention on a spatially-varying outcome may be subject to non-local confounding (NLC), a phenomenon that can bias estimates when the treatments and outcomes of a given unit are dictated in part by the covariates of other nearby units. In particular, NLC is a challenge for evaluating the effects of environmental policies and climate events on health-related outcomes such as air pollution exposure. This paper first formalizes NLC using the potential outcomes framework, providing a comparison with the related phenomenon of causal interference. Then, it proposes a broadly applicable framework, termed "weather2vec", that uses the theory of balancing scores to learn representations of non-local information into a scalar or vector defined for each observational unit, which is subsequently used to adjust for confounding in conjunction with causal inference methods. The framework is evaluated in a simulation study and two case studies on air pollution where the weather is an (inherently regional) known confounder.

In recent years there has been growing attention to interpretable machine learning models which can give explanatory insights on their behavior. Thanks to their interpretability, decision trees have been intensively studied for classification tasks, and due to the remarkable advances in mixed-integer programming (MIP), various approaches have been proposed to formulate the problem of training an Optimal Classification Tree (OCT) as a MIP model. We present a novel mixed-integer quadratic formulation for the OCT problem, which exploits the generalization capabilities of Support Vector Machines for binary classification. Our model, denoted as Margin Optimal Classification Tree (MARGOT), encompasses the use of maximum margin multivariate hyperplanes nested in a binary tree structure. To enhance the interpretability of our approach, we analyse two alternative versions of MARGOT, which include feature selection constraints inducing local sparsity of the hyperplanes. First, MARGOT has been tested on non-linearly separable synthetic datasets in 2-dimensional feature space to provide a graphical representation of the maximum margin approach. Finally, the proposed models have been tested on benchmark datasets from the UCI repository. The MARGOT formulation turns out to be easier to solve than other OCT approaches, and the generated tree better generalizes on new observations. The two interpretable versions are effective in selecting the most relevant features and maintaining good prediction quality.

Identifying market abuse activity from data on investors' trading activity is very challenging both for the data volume and for the low signal to noise ratio. Here we propose two complementary unsupervised machine learning methods to support market surveillance aimed at identifying potential insider trading activities. The first one uses clustering to identify, in the vicinity of a price sensitive event such as a takeover bid, discontinuities in the trading activity of an investor with respect to his/her own past trading history and on the present trading activity of his/her peers. The second unsupervised approach aims at identifying (small) groups of investors that act coherently around price sensitive events, pointing to potential insider rings, i.e. a group of synchronised traders displaying strong directional trading in rewarding position in a period before the price sensitive event. As a case study, we apply our methods to investor resolved data of Italian stocks around takeover bids.

Recent work has shown that machine learning (ML) models can be trained to accurately forecast the dynamics of unknown chaotic dynamical systems. Short-term predictions of the state evolution and long-term predictions of the statistical patterns of the dynamics (``climate'') can be produced by employing a feedback loop, whereby the model is trained to predict forward one time step, then the model output is used as input for multiple time steps. In the absence of mitigating techniques, however, this technique can result in artificially rapid error growth. In this article, we systematically examine the technique of adding noise to the ML model input during training to promote stability and improve prediction accuracy. Furthermore, we introduce Linearized Multi-Noise Training (LMNT), a regularization technique that deterministically approximates the effect of many small, independent noise realizations added to the model input during training. Our case study uses reservoir computing, a machine-learning method using recurrent neural networks, to predict the spatiotemporal chaotic Kuramoto-Sivashinsky equation. We find that reservoir computers trained with noise or with LMNT produce climate predictions that appear to be indefinitely stable and have a climate very similar to the true system, while reservoir computers trained without regularization are unstable. Compared with other regularization techniques that yield stability in some cases, we find that both short-term and climate predictions from reservoir computers trained with noise or with LMNT are substantially more accurate. Finally, we show that the deterministic aspect of our LMNT regularization facilitates fast hyperparameter tuning when compared to training with noise.

Causal discovery for quantitative data has been extensively studied but less is known for categorical data. We propose a novel causal model for categorical data based on a new classification model, termed classification with optimal label permutation (COLP). By design, COLP is a parsimonious classifier, which gives rise to a provably identifiable causal model. A simple learning algorithm via comparing likelihood functions of causal and anti-causal models suffices to learn the causal direction. Through experiments with synthetic and real data, we demonstrate the favorable performance of the proposed COLP-based causal model compared to state-of-the-art methods. We also make available an accompanying R package COLP, which contains the proposed causal discovery algorithm and a benchmark dataset of categorical cause-effect pairs.

Code pre-trained models (CodePTMs) have recently demonstrated significant success in code intelligence. To interpret these models, some probing methods have been applied. However, these methods fail to consider the inherent characteristics of codes. In this paper, to address the problem, we propose a novel probing method CAT-probing to quantitatively interpret how CodePTMs attend code structure. We first denoise the input code sequences based on the token types pre-defined by the compilers to filter those tokens whose attention scores are too small. After that, we define a new metric CAT-score to measure the commonality between the token-level attention scores generated in CodePTMs and the pair-wise distances between corresponding AST nodes. The higher the CAT-score, the stronger the ability of CodePTMs to capture code structure. We conduct extensive experiments to integrate CAT-probing with representative CodePTMs for different programming languages. Experimental results show the effectiveness of CAT-probing in CodePTM interpretation. Our codes and data are publicly available at https://github.com/nchen909/CodeAttention.

Vision Transformers (ViTs) have achieved state-of-the-art performance on various vision tasks. However, ViTs' self-attention module is still arguably a major bottleneck, limiting their achievable hardware efficiency. Meanwhile, existing accelerators dedicated to NLP Transformers are not optimal for ViTs. This is because there is a large difference between ViTs and NLP Transformers: ViTs have a relatively fixed number of input tokens, whose attention maps can be pruned by up to 90% even with fixed sparse patterns; while NLP Transformers need to handle input sequences of varying numbers of tokens and rely on on-the-fly predictions of dynamic sparse attention patterns for each input to achieve a decent sparsity (e.g., >=50%). To this end, we propose a dedicated algorithm and accelerator co-design framework dubbed ViTCoD for accelerating ViTs. Specifically, on the algorithm level, ViTCoD prunes and polarizes the attention maps to have either denser or sparser fixed patterns for regularizing two levels of workloads without hurting the accuracy, largely reducing the attention computations while leaving room for alleviating the remaining dominant data movements; on top of that, we further integrate a lightweight and learnable auto-encoder module to enable trading the dominant high-cost data movements for lower-cost computations. On the hardware level, we develop a dedicated accelerator to simultaneously coordinate the enforced denser/sparser workloads and encoder/decoder engines for boosted hardware utilization. Extensive experiments and ablation studies validate that ViTCoD largely reduces the dominant data movement costs, achieving speedups of up to 235.3x, 142.9x, 86.0x, 10.1x, and 6.8x over general computing platforms CPUs, EdgeGPUs, GPUs, and prior-art Transformer accelerators SpAtten and Sanger under an attention sparsity of 90%, respectively.

Deep learning (DL) methods where interpretability is intrinsically considered as part of the model are required to better understand the relationship of clinical and imaging-based attributes with DL outcomes, thus facilitating their use in the reasoning behind medical decisions. Latent space representations built with variational autoencoders (VAE) do not ensure individual control of data attributes. Attribute-based methods enforcing attribute disentanglement have been proposed in the literature for classical computer vision tasks in benchmark data. In this paper, we propose a VAE approach, the Attri-VAE, that includes an attribute regularization term to associate clinical and medical imaging attributes with different regularized dimensions in the generated latent space, enabling a better-disentangled interpretation of the attributes. Furthermore, the generated attention maps explained the attribute encoding in the regularized latent space dimensions. Using the Attri-VAE approach we analyzed healthy and myocardial infarction patients with clinical, cardiac morphology, and radiomics attributes. The proposed model provided an excellent trade-off between reconstruction fidelity, disentanglement, and interpretability, outperforming state-of-the-art VAE approaches according to several quantitative metrics. The resulting latent space allowed the generation of realistic synthetic data in the trajectory between two distinct input samples or along a specific attribute dimension to better interpret changes between different cardiac conditions.

The notion of a Moreau envelope is central to the analysis of first-order optimization algorithms for machine learning. Yet, it has not been developed and extended to be applied to a deep network and, more broadly, to a machine learning system with a differentiable programming implementation. We define a compositional calculus adapted to Moreau envelopes and show how to integrate it within differentiable programming. The proposed framework casts in a mathematical optimization framework several variants of gradient back-propagation related to the idea of the propagation of virtual targets.

In supervised learning, it has been shown that label noise in the data can be interpolated without penalties on test accuracy. We show that interpolating label noise induces adversarial vulnerability, and prove the first theorem showing the relationship between label noise and adversarial risk for any data distribution. Our results are almost tight if we do not make any assumptions on the inductive bias of the learning algorithm. We then investigate how different components of this problem affect this result including properties of the distribution. We also discuss non-uniform label noise distributions; and prove a new theorem showing uniform label noise induces nearly as large an adversarial risk as the worst poisoning with the same noise rate. Then, we provide theoretical and empirical evidence that uniform label noise is more harmful than typical real-world label noise. Finally, we show how inductive biases amplify the effect of label noise and argue the need for future work in this direction.

We introduce OmniXAI (short for Omni eXplainable AI), an open-source Python library of eXplainable AI (XAI), which offers omni-way explainable AI capabilities and various interpretable machine learning techniques to address the pain points of understanding and interpreting the decisions made by machine learning (ML) in practice. OmniXAI aims to be a one-stop comprehensive library that makes explainable AI easy for data scientists, ML researchers and practitioners who need explanation for various types of data, models and explanation methods at different stages of ML process (data exploration, feature engineering, model development, evaluation, and decision-making, etc). In particular, our library includes a rich family of explanation methods integrated in a unified interface, which supports multiple data types (tabular data, images, texts, time-series), multiple types of ML models (traditional ML in Scikit-learn and deep learning models in PyTorch/TensorFlow), and a range of diverse explanation methods including "model-specific" and "model-agnostic" ones (such as feature-attribution explanation, counterfactual explanation, gradient-based explanation, etc). For practitioners, the library provides an easy-to-use unified interface to generate the explanations for their applications by only writing a few lines of codes, and also a GUI dashboard for visualization of different explanations for more insights about decisions. In this technical report, we present OmniXAI's design principles, system architectures, and major functionalities, and also demonstrate several example use cases across different types of data, tasks, and models.

In this paper, we present a robust and low complexity deep learning model for Remote Sensing Image Classification (RSIC), the task of identifying the scene of a remote sensing image. In particular, we firstly evaluate different low complexity and benchmark deep neural networks: MobileNetV1, MobileNetV2, NASNetMobile, and EfficientNetB0, which present the number of trainable parameters lower than 5 Million (M). After indicating best network architecture, we further improve the network performance by applying attention schemes to multiple feature maps extracted from middle layers of the network. To deal with the issue of increasing the model footprint as using attention schemes, we apply the quantization technique to satisfy the maximum of 20 MB memory occupation. By conducting extensive experiments on the benchmark datasets NWPU-RESISC45, we achieve a robust and low-complexity model, which is very competitive to the state-of-the-art systems and potential for real-life applications on edge devices.

Image segmentation is a fundamental task in computer vision. Data annotation for training supervised methods can be labor-intensive, motivating unsupervised methods. Some existing approaches extract deep features from pre-trained networks and build a graph to apply classical clustering methods (e.g., $k$-means and normalized-cuts) as a post-processing stage. These techniques reduce the high-dimensional information encoded in the features to pair-wise scalar affinities. In this work, we replace classical clustering algorithms with a lightweight Graph Neural Network (GNN) trained to achieve the same clustering objective function. However, in contrast to existing approaches, we feed the GNN not only the pair-wise affinities between local image features but also the raw features themselves. Maintaining this connection between the raw feature and the clustering goal allows to perform part semantic segmentation implicitly, without requiring additional post-processing steps. We demonstrate how classical clustering objectives can be formulated as self-supervised loss functions for training our image segmentation GNN. Additionally, we use the Correlation-Clustering (CC) objective to perform clustering without defining the number of clusters ($k$-less clustering). We apply the proposed method for object localization, segmentation, and semantic part segmentation tasks, surpassing state-of-the-art performance on multiple benchmarks.

This interactive paper aims to provide an intuitive understanding of the self-calibrating interface paradigm. Under this paradigm, you can choose how to use an interface which can adapt to your preferences on the fly. We introduce a PIN entering task and gradually release constraints, moving from a pre-calibrated interface to a self-calibrating interface while increasing the complexity of input modalities from buttons, to points on a map, to sketches, and finally to spoken words. This is not a traditional research paper with a hypothesis and experimental results to support claims; the research supporting this work has already been done and we refer to it extensively in the later sections. Instead, our aim is to walk you through an intriguing interaction paradigm in small logical steps with supporting illustrations, interactive demonstrations, and videos to reinforce your learning. We designed this paper for the enjoyments of curious minds of any backgrounds, it is written in plain English and no prior knowledge is necessary. All demos are available online at openvault.jgrizou.com and linked individually in the paper.

We study separations between two fundamental models (or \emph{Ans\"atze}) of antisymmetric functions, that is, functions $f$ of the form $f(x_{\sigma(1)}, \ldots, x_{\sigma(N)}) = \text{sign}(\sigma)f(x_1, \ldots, x_N)$, where $\sigma$ is any permutation. These arise in the context of quantum chemistry, and are the basic modeling tool for wavefunctions of Fermionic systems. Specifically, we consider two popular antisymmetric Ans\"atze: the Slater representation, which leverages the alternating structure of determinants, and the Jastrow ansatz, which augments Slater determinants with a product by an arbitrary symmetric function. We construct an antisymmetric function that can be more efficiently expressed in Jastrow form, yet provably cannot be approximated by Slater determinants unless there are exponentially (in $N^2$) many terms. This represents the first explicit quantitative separation between these two Ans\"atze.

The Majorana Demonstrator is a leading experiment searching for neutrinoless double-beta decay with high purity germanium detectors (HPGe). Machine learning provides a new way to maximize the amount of information provided by these detectors, but the data-driven nature makes it less interpretable compared to traditional analysis. An interpretability study reveals the machine's decision-making logic, allowing us to learn from the machine to feedback to the traditional analysis. In this work, we have presented the first machine learning analysis of the data from the Majorana Demonstrator; this is also the first interpretable machine learning analysis of any germanium detector experiment. Two gradient boosted decision tree models are trained to learn from the data, and a game-theory-based model interpretability study is conducted to understand the origin of the classification power. By learning from data, this analysis recognizes the correlations among reconstruction parameters to further enhance the background rejection performance. By learning from the machine, this analysis reveals the importance of new background categories to reciprocally benefit the standard Majorana analysis. This model is highly compatible with next-generation germanium detector experiments like LEGEND since it can be simultaneously trained on a large number of detectors.

Recently proposed Gated Linear Networks present a tractable nonlinear network architecture, and exhibit interesting capabilities such as learning with local error signals and reduced forgetting in sequential learning. In this work, we introduce a novel gating architecture, named Globally Gated Deep Linear Networks (GGDLNs) where gating units are shared among all processing units in each layer, thereby decoupling the architectures of the nonlinear but unlearned gatings and the learned linear processing motifs. We derive exact equations for the generalization properties in these networks in the finite-width thermodynamic limit, defined by $P,N\rightarrow\infty, P/N\sim O(1)$, where P and N are the training sample size and the network width respectively. We find that the statistics of the network predictor can be expressed in terms of kernels that undergo shape renormalization through a data-dependent matrix compared to the GP kernels. Our theory accurately captures the behavior of finite width GGDLNs trained with gradient descent dynamics. We show that kernel shape renormalization gives rise to rich generalization properties w.r.t. network width, depth and L2 regularization amplitude. Interestingly, networks with sufficient gating units behave similarly to standard ReLU networks. Although gatings in the model do not participate in supervised learning, we show the utility of unsupervised learning of the gating parameters. Additionally, our theory allows the evaluation of the network's ability for learning multiple tasks by incorporating task-relevant information into the gating units. In summary, our work is the first exact theoretical solution of learning in a family of nonlinear networks with finite width. The rich and diverse behavior of the GGDLNs suggests that they are helpful analytically tractable models of learning single and multiple tasks, in finite-width nonlinear deep networks.

This work proposes the continuous conditional generative adversarial network (CcGAN), the first generative model for image generation conditional on continuous, scalar conditions (termed regression labels). Existing conditional GANs (cGANs) are mainly designed for categorical conditions (eg, class labels); conditioning on regression labels is mathematically distinct and raises two fundamental problems:(P1) Since there may be very few (even zero) real images for some regression labels, minimizing existing empirical versions of cGAN losses (aka empirical cGAN losses) often fails in practice;(P2) Since regression labels are scalar and infinitely many, conventional label input methods are not applicable. The proposed CcGAN solves the above problems, respectively, by (S1) reformulating existing empirical cGAN losses to be appropriate for the continuous scenario; and (S2) proposing a naive label input (NLI) method and an improved label input (ILI) method to incorporate regression labels into the generator and the discriminator. The reformulation in (S1) leads to two novel empirical discriminator losses, termed the hard vicinal discriminator loss (HVDL) and the soft vicinal discriminator loss (SVDL) respectively, and a novel empirical generator loss. The error bounds of a discriminator trained with HVDL and SVDL are derived under mild assumptions in this work. Two new benchmark datasets (RC-49 and Cell-200) and a novel evaluation metric (Sliding Fr\'echet Inception Distance) are also proposed for this continuous scenario. Our experiments on the Circular 2-D Gaussians, RC-49, UTKFace, Cell-200, and Steering Angle datasets show that CcGAN is able to generate diverse, high-quality samples from the image distribution conditional on a given regression label. Moreover, in these experiments, CcGAN substantially outperforms cGAN both visually and quantitatively.

Classical differential private DP-SGD implements individual clipping with random subsampling, which forces a mini-batch SGD approach. We provide a general differential private algorithmic framework that goes beyond DP-SGD and allows any possible first order optimizers (e.g., classical SGD and momentum based SGD approaches) in combination with batch clipping, which clips an aggregate of computed gradients rather than summing clipped gradients (as is done in individual clipping). The framework also admits sampling techniques beyond random subsampling such as shuffling. Our DP analysis follows the $f$-DP approach and introduces a new proof technique which allows us to also analyse group privacy. In particular, for $E$ epochs work and groups of size $g$, we show a $\sqrt{g E}$ DP dependency for batch clipping with shuffling. This is much better than the previously anticipated linear dependency in $g$ and is much better than the previously expected square root dependency on the total number of rounds within $E$ epochs which is generally much more than $\sqrt{E}$.

Deep learning models for medical image segmentation can fail unexpectedly and spectacularly for pathological cases and images acquired at different centers than training images, with labeling errors that violate expert knowledge. Such errors undermine the trustworthiness of deep learning models for medical image segmentation. Mechanisms for detecting and correcting such failures are essential for safely translating this technology into clinics and are likely to be a requirement of future regulations on artificial intelligence (AI). In this work, we propose a trustworthy AI theoretical framework and a practical system that can augment any backbone AI system using a fallback method and a fail-safe mechanism based on Dempster-Shafer theory. Our approach relies on an actionable definition of trustworthy AI. Our method automatically discards the voxel-level labeling predicted by the backbone AI that violate expert knowledge and relies on a fallback for those voxels. We demonstrate the effectiveness of the proposed trustworthy AI approach on the largest reported annotated dataset of fetal MRI consisting of 540 manually annotated fetal brain 3D T2w MRIs from 13 centers. Our trustworthy AI method improves the robustness of a state-of-the-art backbone AI for fetal brain MRIs acquired across various centers and for fetuses with various brain abnormalities.

Despite the empirical successes of self-supervised learning (SSL) methods, it is unclear what characteristics of their representations lead to high downstream accuracies. In this work, we characterize properties that SSL representations should ideally satisfy. Specifically, we prove necessary and sufficient conditions such that for any task invariant to given data augmentations, desired probes (e.g., linear or MLP) trained on that representation attain perfect accuracy. These requirements lead to a unifying conceptual framework for improving existing SSL methods and deriving new ones. For contrastive learning, our framework prescribes simple but significant improvements to previous methods such as using asymmetric projection heads. For non-contrastive learning, we use our framework to derive a simple and novel objective. Our resulting SSL algorithms outperform baselines on standard benchmarks, including SwAV+multicrops on linear probing of ImageNet.

We propose a new self-supervised method for pre-training the backbone of deep perception models operating on point clouds. The core idea is to train the model on a pretext task which is the reconstruction of the surface on which the 3D points are sampled, and to use the underlying latent vectors as input to the perception head. The intuition is that if the network is able to reconstruct the scene surface, given only sparse input points, then it probably also captures some fragments of semantic information, that can be used to boost an actual perception task. This principle has a very simple formulation, which makes it both easy to implement and widely applicable to a large range of 3D sensors and deep networks performing semantic segmentation or object detection. In fact, it supports a single-stream pipeline, as opposed to most contrastive learning approaches, allowing training on limited resources. We conducted extensive experiments on various autonomous driving datasets, involving very different kinds of lidars, for both semantic segmentation and object detection. The results show the effectiveness of our method to learn useful representations without any annotation, compared to existing approaches. Code is available at https://github.com/valeoai/ALSO

We consider resource management problems in multi-user wireless networks, which can be cast as optimizing a network-wide utility function, subject to constraints on the long-term average performance of users across the network. We propose a state-augmented algorithm for solving the aforementioned radio resource management (RRM) problems, where, alongside the instantaneous network state, the RRM policy takes as input the set of dual variables corresponding to the constraints, which evolve depending on how much the constraints are violated during execution. We theoretically show that the proposed state-augmented algorithm leads to feasible and near-optimal RRM decisions. Moreover, focusing on the problem of wireless power control using graph neural network (GNN) parameterizations, we demonstrate the superiority of the proposed RRM algorithm over baseline methods across a suite of numerical experiments.

Thin-cap fibroatheroma (TCFA) and plaque rupture have been recognized as the most frequent risk factor for thrombosis and acute coronary syndrome. Intravascular optical coherence tomography (IVOCT) can identify TCFA and assess cap thickness, which provides an opportunity to assess plaque vulnerability. We developed an automated method that can detect lipidous plaque and assess fibrous cap thickness in IVOCT images. This study analyzed a total of 4,360 IVOCT image frames of 77 lesions among 41 patients. To improve segmentation performance, preprocessing included lumen segmentation, pixel-shifting, and noise filtering on the raw polar (r, theta) IVOCT images. We used the DeepLab-v3 plus deep learning model to classify lipidous plaque pixels. After lipid detection, we automatically detected the outer border of the fibrous cap using a special dynamic programming algorithm and assessed the cap thickness. Our method provided excellent discriminability of lipid plaque with a sensitivity of 85.8% and A-line Dice coefficient of 0.837. By comparing lipid angle measurements between two analysts following editing of our automated software, we found good agreement by Bland-Altman analysis (difference 6.7+/-17 degree; mean 196 degree). Our method accurately detected the fibrous cap from the detected lipid plaque. Automated analysis required a significant modification for only 5.5% frames. Furthermore, our method showed a good agreement of fibrous cap thickness between two analysts with Bland-Altman analysis (4.2+/-14.6 micron; mean 175 micron), indicating little bias between users and good reproducibility of the measurement. We developed a fully automated method for fibrous cap quantification in IVOCT images, resulting in good agreement with determinations by analysts. The method has great potential to enable highly automated, repeatable, and comprehensive evaluations of TCFAs.

To apply federated learning to drug discovery we developed a novel platform in the context of European Innovative Medicines Initiative (IMI) project MELLODDY (grant n{\deg}831472), which was comprised of 10 pharmaceutical companies, academic research labs, large industrial companies and startups. The MELLODDY platform was the first industry-scale platform to enable the creation of a global federated model for drug discovery without sharing the confidential data sets of the individual partners. The federated model was trained on the platform by aggregating the gradients of all contributing partners in a cryptographic, secure way following each training iteration. The platform was deployed on an Amazon Web Services (AWS) multi-account architecture running Kubernetes clusters in private subnets. Organisationally, the roles of the different partners were codified as different rights and permissions on the platform and administrated in a decentralized way. The MELLODDY platform generated new scientific discoveries which are described in a companion paper.

Finding extended hydrodynamics equations valid from the dense gas region to the rarefied gas region remains a great challenge. The key to success is to obtain accurate constitutive relations for stress and heat flux. Data-driven models offer a new phenomenological approach to learning constitutive relations from data. Such models enable complex constitutive relations that extend Newton's law of viscosity and Fourier's law of heat conduction by regression on higher derivatives. However, the choices of derivatives in these models are ad-hoc without a clear physical explanation. We investigated data-driven models theoretically on a linear system. We argue that these models are equivalent to non-linear length scale scaling laws of transport coefficients. The equivalence to scaling laws justified the physical plausibility and revealed the limitation of data-driven models. Our argument also points out that modeling the scaling law could avoid practical difficulties in data-driven models like derivative estimation and variable selection on noisy data. We further proposed a constitutive relation model based on scaling law and tested it on the calculation of Rayleigh scattering spectra. The result shows our data-driven model has a clear advantage over the Chapman-Enskog expansion and moment methods.

Many machine learning algorithms have been developed in recent years to enhance the performance of a model in different aspects of artificial intelligence. But the problem persists due to inadequate data and resources. Integrating knowledge in a machine learning model can help to overcome these obstacles up to a certain degree. Incorporating knowledge is a complex task though because of various forms of knowledge representation. In this paper, we will give a brief overview of these different forms of knowledge integration and their performance in certain machine learning tasks.

This paper presents a novel way to apply mathematical finance and machine learning (ML) to forecast stock options prices. Following results from the paper Quasi-Reversibility Method and Neural Network Machine Learning to Solution of Black-Scholes Equations (appeared on the AMS Contemporary Mathematics journal), we create and evaluate new empirical mathematical models for the Black-Scholes equation to analyze data for 92,846 companies. We solve the Black-Scholes (BS) equation forwards in time as an ill-posed inverse problem, using the Quasi-Reversibility Method (QRM), to predict option price for the future one day. For each company, we have 13 elements including stock and option daily prices, volatility, minimizer, etc. Because the market is so complicated that there exists no perfect model, we apply ML to train algorithms to make the best prediction. The current stage of research combines QRM with Convolutional Neural Networks (CNN), which learn information across a large number of data points simultaneously. We implement CNN to generate new results by validating and testing on sample market data. We test different ways of applying CNN and compare our CNN models with previous models to see if achieving a higher profit rate is possible.

The geographically weighted regression (GWR) is an essential tool for estimating the spatial variation of relationships between dependent and independent variables in geographical contexts. However, GWR suffers from the problem that classical linear regressions, which compose the GWR model, are more prone to be underfitting, especially for significant volume and complex nonlinear data, causing inferior comparative performance. Nevertheless, some advanced models, such as the decision tree and the support vector machine, can learn features from complex data more effectively while they cannot provide explainable quantification for the spatial variation of localized relationships. To address the above issues, we propose a geographically gradient boosting weighted regression model, GWRBoost, that applies the localized additive model and gradient boosting optimization method to alleviate underfitting problems and retains explainable quantification capability for spatially-varying relationships between geographically located variables. Furthermore, we formulate the computation method of the Akaike information score for the proposed model to conduct the comparative analysis with the classic GWR algorithm. Simulation experiments and the empirical case study are applied to prove the efficient performance and practical value of GWRBoost. The results show that our proposed model can reduce the RMSE by 18.3\% in parameter estimation accuracy and AICc by 67.3\% in the goodness of fit.

While machine learning is traditionally a resource intensive task, embedded systems, autonomous navigation, and the vision of the Internet of Things fuel the interest in resource-efficient approaches. These approaches aim for a carefully chosen trade-off between performance and resource consumption in terms of computation and energy. The development of such approaches is among the major challenges in current machine learning research and key to ensure a smooth transition of machine learning technology from a scientific environment with virtually unlimited computing resources into everyday's applications. In this article, we provide an overview of the current state of the art of machine learning techniques facilitating these real-world requirements. In particular, we focus on deep neural networks (DNNs), the predominant machine learning models of the past decade. We give a comprehensive overview of the vast literature that can be mainly split into three non-mutually exclusive categories: (i) quantized neural networks, (ii) network pruning, and (iii) structural efficiency. These techniques can be applied during training or as post-processing, and they are widely used to reduce the computational demands in terms of memory footprint, inference speed, and energy efficiency. We also briefly discuss different concepts of embedded hardware for DNNs and their compatibility with machine learning techniques as well as potential for energy and latency reduction. We substantiate our discussion with experiments on well-known benchmark datasets using compression techniques (quantization, pruning) for a set of resource-constrained embedded systems, such as CPUs, GPUs and FPGAs. The obtained results highlight the difficulty of finding good trade-offs between resource efficiency and predictive performance.

The accurate numerical solution of partial differential equations is a central task in numerical analysis allowing to model a wide range of natural phenomena by employing specialized solvers depending on the scenario of application. Here, we develop a variational approach for solving partial differential equations governing the evolution of high dimensional probability distributions. Our approach naturally works on the unbounded continuous domain and encodes the full probability density function through its variational parameters, which are adapted dynamically during the evolution to optimally reflect the dynamics of the density. For the considered benchmark cases we observe excellent agreement with numerical solutions as well as analytical solutions in regimes inaccessible to traditional computational approaches.

AI agents need to be robust to unexpected changes in their environment in order to safely operate in real-world scenarios. While some work has been done on this type of robustness in the single-agent case, in this work we introduce the idea that collaboration with other agents can help agents adapt to environment perturbations in multi-agent reinforcement learning settings. We first formalize this notion of resilience of a group of agents. We then empirically evaluate different collaboration protocols and examine their effect on resilience. We see that all of the collaboration approaches considered lead to greater resilience compared to baseline, in line with our hypothesis. We discuss future direction and the general relevance of the concept of resilience introduced in this work.

Computational imaging has been revolutionized by compressed sensing algorithms, which offer guaranteed uniqueness, convergence, and stability properties. In recent years, model-based deep learning methods that combine imaging physics with learned regularization priors have been emerging as more powerful alternatives for image recovery. The main focus of this paper is to introduce a memory efficient model-based algorithm with similar theoretical guarantees as CS methods. The proposed iterative algorithm alternates between a gradient descent involving the score function and a conjugate gradient algorithm to encourage data consistency. The score function is modeled as a monotone convolutional neural network. Our analysis shows that the monotone constraint is necessary and sufficient to enforce the uniqueness of the fixed point in arbitrary inverse problems. In addition, it also guarantees the convergence to a fixed point, which is robust to input perturbations. Current algorithms including RED and MoDL are special cases of the proposed algorithm; the proposed theoretical tools enable the optimization of the framework for the deep equilibrium setting. The proposed deep equilibrium formulation is significantly more memory efficient than unrolled methods, which allows us to apply it to 3D or 2D+time problems that current unrolled algorithms cannot handle.

ParaDime is a framework for parametric dimensionality reduction (DR). In parametric DR, neural networks are trained to embed high-dimensional data items in a low-dimensional space while minimizing an objective function. ParaDime builds on the idea that the objective functions of several modern DR techniques result from transformed inter-item relationships. It provides a common interface to specify these relations and transformations and to define how they are used within the losses that govern the training process. Through this interface, ParaDime unifies parametric versions of DR techniques such as metric MDS, t-SNE, and UMAP. Furthermore, it allows users to fully customize each aspect of the DR process. We show how this ease of customization makes ParaDime suitable for experimenting with interesting techniques, such as hybrid classification/embedding models or supervised DR, which opens up new possibilities for visualizing high-dimensional data.

Mapping between discrete and continuous distributions is a difficult task and many have had to resort to heuristical approaches. We propose a tessellation-based approach that directly learns quantization boundaries in a continuous space, complete with exact likelihood evaluations. This is done through constructing normalizing flows on convex polytopes parameterized using a simple homeomorphism with an efficient log determinant Jacobian. We explore this approach in two application settings, mapping from discrete to continuous and vice versa. Firstly, a Voronoi dequantization allows automatically learning quantization boundaries in a multidimensional space. The location of boundaries and distances between regions can encode useful structural relations between the quantized discrete values. Secondly, a Voronoi mixture model has near-constant computation cost for likelihood evaluation regardless of the number of mixture components. Empirically, we show improvements over existing methods across a range of structured data modalities.

The Internet of Medical Things (IoMT) allows the collection of physiological data using sensors, then their transmission to remote servers, permitting physicians and health professionals to analyze these data continuously and permanently. However, on the one hand, this technology faces security risks ranging from violating patient's privacy to their death due to wireless communication exposing these data to interception attacks. Moreover, these data are of particular interest to attackers due to their sensitive and private nature. On the other hand, adopting traditional security, such as cryptography on medical equipment suffering from low computing, storage and energy capacity with heterogeneous communication, represents a challenge. Moreover, these protection methods are ineffective against new attacks and zero-day attacks. Security measures must be adopted to guarantee the integrity, confidentiality and availability of data during collection, transmission, storage and processing. In this context, using Intrusion Detection Systems (IDS) based on Machine Learning (ML) can bring a complementary security solution adapted to the characteristics of IoMT systems. This paper performs a comprehensive survey on how IDS based on ML addresses security and privacy issues in IoMT systems. For this purpose, the generic three layers architecture of IoMT and the security requirement of IoMT systems are provided. Then, the various threats that can affect IoMT security and the advantages, disadvantages, methods, and datasets used in each solution based on ML are identified at the three layers composing IoMT. Finally, some challenges and limitations of applying IDS based on ML at each layer of IoMT are discussed, which can serve as a future research direction.

In order to avoid conventional controlling methods which created obstacles due to the complexity of systems and intense demand on data density, developing modern and more efficient control methods are required. In this way, reinforcement learning off-policy and model-free algorithms help to avoid working with complex models. In terms of speed and accuracy, they become prominent methods because the algorithms use their past experience to learn the optimal policies. In this study, three reinforcement learning algorithms; DDPG, TD3 and SAC have been used to train Fetch robotic manipulator for four different tasks in MuJoCo simulation environment. All of these algorithms are off-policy and able to achieve their desired target by optimizing both policy and value functions. In the current study, the efficiency and the speed of these three algorithms are analyzed in a controlled environment.

We study the problem of explainability-first clustering where explainability becomes a first-class citizen for clustering. Previous clustering approaches use decision trees for explanation, but only after the clustering is completed. In contrast, our approach is to perform clustering and decision tree training holistically where the decision tree's performance and size also influence the clustering results. We assume the attributes for clustering and explaining are distinct, although this is not necessary. We observe that our problem is a monotonic optimization where the objective function is a difference of monotonic functions. We then propose an efficient branch-and-bound algorithm for finding the best parameters that lead to a balance of cluster distortion and decision tree explainability. Our experiments show that our method can improve the explainability of any clustering that fits in our framework.

Effective inclusion of physics-based knowledge into deep neural network models of dynamical systems can greatly improve data efficiency and generalization. Such a-priori knowledge might arise from physical principles (e.g., conservation laws) or from the system's design (e.g., the Jacobian matrix of a robot), even if large portions of the system dynamics remain unknown. We develop a framework to learn dynamics models from trajectory data while incorporating a-priori system knowledge as inductive bias. More specifically, the proposed framework uses physics-based side information to inform the structure of the neural network itself, and to place constraints on the values of the outputs and the internal states of the model. It represents the system's vector field as a composition of known and unknown functions, the latter of which are parametrized by neural networks. The physics-informed constraints are enforced via the augmented Lagrangian method during the model's training. We experimentally demonstrate the benefits of the proposed approach on a variety of dynamical systems -- including a benchmark suite of robotics environments featuring large state spaces, non-linear dynamics, external forces, contact forces, and control inputs. By exploiting a-priori system knowledge during training, the proposed approach learns to predict the system dynamics two orders of magnitude more accurately than a baseline approach that does not include prior knowledge, given the same training dataset.

A machine learning model, under the influence of observed or unobserved confounders in the training data, can learn spurious correlations and fail to generalize when deployed. For image classifiers, augmenting a training dataset using counterfactual examples has been empirically shown to break spurious correlations. However, the counterfactual generation task itself becomes more difficult as the level of confounding increases. Existing methods for counterfactual generation under confounding consider a fixed set of interventions (e.g., texture, rotation) and are not flexible enough to capture diverse data-generating processes. Given a causal generative process, we formally characterize the adverse effects of confounding on any downstream tasks and show that the correlation between generative factors (attributes) can be used to quantitatively measure confounding between generative factors. To minimize such correlation, we propose a counterfactual generation method that learns to modify the value of any attribute in an image and generate new images given a set of observed attributes, even when the dataset is highly confounded. These counterfactual images are then used to regularize the downstream classifier such that the learned representations are the same across various generative factors conditioned on the class label. Our method is computationally efficient, simple to implement, and works well for any number of generative factors and confounding variables. Our experimental results on both synthetic (MNIST variants) and real-world (CelebA) datasets show the usefulness of our approach.

Multi-view subspace clustering (MSC) is a popular unsupervised method by integrating heterogeneous information to reveal the intrinsic clustering structure hidden across views. Usually, MSC methods use graphs (or affinity matrices) fusion to learn a common structure, and further apply graph-based approaches to clustering. Despite progress, most of the methods do not establish the connection between graph learning and clustering. Meanwhile, conventional graph fusion strategies assign coarse-grained weights to combine multi-graph, ignoring the importance of local structure. In this paper, we propose a fine-grained graph learning framework for multi-view subspace clustering (FGL-MSC) to address these issues. To utilize the multi-view information sufficiently, we design a specific graph learning method by introducing graph regularization and local structure fusion pattern. The main challenge is how to optimize the fine-grained fusion weights while generating the learned graph that fits the clustering task, thus making the clustering representation meaningful and competitive. Accordingly, an iterative algorithm is proposed to solve the above joint optimization problem, which obtains the learned graph, the clustering representation, and the fusion weights simultaneously. Extensive experiments on eight real-world datasets show that the proposed framework has comparable performance to the state-of-the-art methods.

Recently, improving the robustness of policies across different environments attracts increasing attention in the reinforcement learning (RL) community. Existing robust RL methods mostly aim to achieve the max-min robustness by optimizing the policy's performance in the worst-case environment. However, in practice, a user that uses an RL policy may have different preferences over its performance across environments. Clearly, the aforementioned max-min robustness is oftentimes too conservative to satisfy user preference. Therefore, in this paper, we integrate user preference into policy learning in robust RL, and propose a novel User-Oriented Robust RL (UOR-RL) framework. Specifically, we define a new User-Oriented Robustness (UOR) metric for RL, which allocates different weights to the environments according to user preference and generalizes the max-min robustness metric. To optimize the UOR metric, we develop two different UOR-RL training algorithms for the scenarios with or without a priori known environment distribution, respectively. Theoretically, we prove that our UOR-RL training algorithms converge to near-optimal policies even with inaccurate or completely no knowledge about the environment distribution. Furthermore, we carry out extensive experimental evaluations in 4 MuJoCo tasks. The experimental results demonstrate that UOR-RL is comparable to the state-of-the-art baselines under the average and worst-case performance metrics, and more importantly establishes new state-of-the-art performance under the UOR metric.

We propose a semiparametric test to evaluate (i) whether different instruments induce subpopulations of compliers with the same observable characteristics on average, and (ii) whether compliers have observable characteristics that are the same as the full population on average. The test is a flexible robustness check for the external validity of instruments. We use it to reinterpret the difference in LATE estimates that Angrist and Evans (1998) obtain when using different instrumental variables. To justify the test, we characterize the doubly robust moment for Abadie (2003)'s class of complier parameters, and we analyze a machine learning update to $\kappa$ weighting.

This paper provides theoretical insights into why and how deep learning can generalize well, despite its large capacity, complexity, possible algorithmic instability, nonrobustness, and sharp minima, responding to an open question in the literature. We also discuss approaches to provide non-vacuous generalization guarantees for deep learning. Based on theoretical observations, we propose new open problems and discuss the limitations of our results.

Two-stage robust optimization problems constitute one of the hardest optimization problem classes. One of the solution approaches to this class of problems is K-adaptability. This approach simultaneously seeks the best partitioning of the uncertainty set of scenarios into K subsets, and optimizes decisions corresponding to each of these subsets. In general case, it is solved using the K-adaptability branch-and-bound algorithm, which requires exploration of exponentially-growing solution trees. To accelerate finding high-quality solutions in such trees, we propose a machine learning-based node selection strategy. In particular, we construct a feature engineering scheme based on general two-stage robust optimization insights that allows us to train our machine learning tool on a database of resolved B&B trees, and to apply it as-is to problems of different sizes and/or types. We experimentally show that using our learned node selection strategy outperforms a vanilla, random node selection strategy when tested on problems of the same type as the training problems, also in case the K-value or the problem size differs from the training ones.

Although deep networks have shown vulnerability to evasion attacks, such attacks have usually unrealistic requirements. Recent literature discussed the possibility to remove or not some of these requirements. This paper contributes to this literature by introducing a carpet-bombing patch attack which has almost no requirement. Targeting the feature representations, this patch attack does not require knowing the network task. This attack decreases accuracy on Imagenet, mAP on Pascal Voc, and IoU on Cityscapes without being aware that the underlying tasks involved classification, detection or semantic segmentation, respectively. Beyond the potential safety issues raised by this attack, the impact of the carpet-bombing attack highlights some interesting property of deep network layer dynamic.

How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational inference and learning algorithm that scales to large datasets and, under some mild differentiability conditions, even works in the intractable case. Our contributions are two-fold. First, we show that a reparameterization of the variational lower bound yields a lower bound estimator that can be straightforwardly optimized using standard stochastic gradient methods. Second, we show that for i.i.d. datasets with continuous latent variables per datapoint, posterior inference can be made especially efficient by fitting an approximate inference model (also called a recognition model) to the intractable posterior using the proposed lower bound estimator. Theoretical advantages are reflected in experimental results.

Reasoning is central to human intelligence. However, fallacious arguments are common, and some exacerbate problems such as spreading misinformation about climate change. In this paper, we propose the task of logical fallacy detection, and provide a new dataset (Logic) of logical fallacies generally found in text, together with an additional challenge set for detecting logical fallacies in climate change claims (LogicClimate). Detecting logical fallacies is a hard problem as the model must understand the underlying logical structure of the argument. We find that existing pretrained large language models perform poorly on this task. In contrast, we show that a simple structure-aware classifier outperforms the best language model by 5.46% on Logic and 4.51% on LogicClimate. We encourage future work to explore this task as (a) it can serve as a new reasoning challenge for language models, and (b) it can have potential applications in tackling the spread of misinformation. Our dataset and code are available at https://github.com/causalNLP/logical-fallacy

This paper provides estimation and inference methods for an identified set's boundary (i.e., support function) where the selection among a very large number of covariates is based on modern regularized tools. I characterize the boundary using a semiparametric moment equation. Combining Neyman-orthogonality and sample splitting ideas, I construct a root-N consistent, uniformly asymptotically Gaussian estimator of the boundary and propose a multiplier bootstrap procedure to conduct inference. I apply this result to the partially linear model, the partially linear IV model and the average partial derivative with an interval-valued outcome.

Class-incremental learning (CIL) learns a classification model with training data of different classes arising progressively. Existing CIL either suffers from serious accuracy loss due to catastrophic forgetting, or invades data privacy by revisiting used exemplars. Inspired by linear learning formulations, we propose an analytic class-incremental learning (ACIL) with absolute memorization of past knowledge while avoiding breaching of data privacy (i.e., without storing historical data). The absolute memorization is demonstrated in the sense that class-incremental learning using ACIL given present data would give identical results to that from its joint-learning counterpart which consumes both present and historical samples. This equality is theoretically validated. Data privacy is ensured since no historical data are involved during the learning process. Empirical validations demonstrate ACIL's competitive accuracy performance with near-identical results for various incremental task settings (e.g., 5-50 phases). This also allows ACIL to outperform the state-of-the-art methods for large-phase scenarios (e.g., 25 and 50 phases).

Remaining Useful Life (RUL) estimation plays a critical role in Prognostics and Health Management (PHM). Traditional machine health maintenance systems are often costly, requiring sufficient prior expertise, and are difficult to fit into highly complex and changing industrial scenarios. With the widespread deployment of sensors on industrial equipment, building the Industrial Internet of Things (IIoT) to interconnect these devices has become an inexorable trend in the development of the digital factory. Using the device's real-time operational data collected by IIoT to get the estimated RUL through the RUL prediction algorithm, the PHM system can develop proactive maintenance measures for the device, thus, reducing maintenance costs and decreasing failure times during operation. This paper carries out research into the remaining useful life prediction model for multi-sensor devices in the IIoT scenario. We investigated the mainstream RUL prediction models and summarized the basic steps of RUL prediction modeling in this scenario. On this basis, a data-driven approach for RUL estimation is proposed in this paper. It employs a Multi-Head Attention Mechanism to fuse the multi-dimensional time-series data output from multiple sensors, in which the attention on features is used to capture the interactions between features and attention on sequences is used to learn the weights of time steps. Then, the Long Short-Term Memory Network is applied to learn the features of time series. We evaluate the proposed model on two benchmark datasets (C-MAPSS and PHM08), and the results demonstrate that it outperforms the state-of-art models. Moreover, through the interpretability of the multi-head attention mechanism, the proposed model can provide a preliminary explanation of engine degradation. Therefore, this approach is promising for predictive maintenance in IIoT scenarios.

Transportation mode classification, the process of predicting the class labels of moving objects transportation modes, has been widely applied to a variety of real world applications, such as traffic management, urban computing, and behavior study. However, existing studies of transportation mode classification typically extract the explicit features of trajectory data but fail to capture the implicit features that affect the classification performance. In addition, most of the existing studies also prefer to apply RNN-based models to embed trajectories, which is only suitable for classifying small-scale data. To tackle the above challenges, we propose an effective and scalable framework for transportation mode classification over GPS trajectories, abbreviated Estimator. Estimator is established on a developed CNN-TCN architecture, which is capable of leveraging the spatial and temporal hidden features of trajectories to achieve high effectiveness and efficiency. Estimator partitions the entire traffic space into disjointed spatial regions according to traffic conditions, which enhances the scalability significantly and thus enables parallel transportation classification. Extensive experiments using eight public real-life datasets offer evidence that Estimator i) achieves superior model effectiveness (i.e., 99% Accuracy and 0.98 F1-score), which outperforms state-of-the-arts substantially; ii) exhibits prominent model efficiency, and obtains 7-40x speedups up over state-of-the-arts learning-based methods; and iii) shows high model scalability and robustness that enables large-scale classification analytics.

Causal inference is the process of using assumptions, study designs, and estimation strategies to draw conclusions about the causal relationships between variables based on data. This allows researchers to better understand the underlying mechanisms at work in complex systems and make more informed decisions. In many settings, we may not fully observe all the confounders that affect both the treatment and outcome variables, complicating the estimation of causal effects. To address this problem, a growing literature in both causal inference and machine learning proposes to use Instrumental Variables (IV). This paper serves as the first effort to systematically and comprehensively introduce and discuss the IV methods and their applications in both causal inference and machine learning. First, we provide the formal definition of IVs and discuss the identification problem of IV regression methods under different assumptions. Second, we categorize the existing work on IV methods into three streams according to the focus on the proposed methods, including two-stage least squares with IVs, control function with IVs, and evaluation of IVs. For each stream, we present both the classical causal inference methods, and recent developments in the machine learning literature. Then, we introduce a variety of applications of IV methods in real-world scenarios and provide a summary of the available datasets and algorithms. Finally, we summarize the literature, discuss the open problems and suggest promising future research directions for IV methods and their applications. We also develop a toolkit of IVs methods reviewed in this survey at https://github.com/causal-machine-learning-lab/mliv.

Traffic forecasting is an important application of spatiotemporal series prediction. Among different methods, graph neural networks have achieved so far the most promising results, learning relations between graph nodes then becomes a crucial task. However, improvement space is very limited when these relations are learned in a node-to-node manner. The challenge stems from (1) obscure temporal dependencies between different stations, (2) difficulties in defining variables beyond the node level, and (3) no ready-made method to validate the learned relations. To confront these challenges, we define legitimate traffic causal variables to discover the causal relation inside the traffic network, which is carefully checked with statistic tools and case analysis. We then present a novel model named Graph Spatial-Temporal Network Based on Causal Insight (GT-CausIn), where prior learned causal information is integrated with graph diffusion layers and temporal convolutional network (TCN) layers. Experiments are carried out on two real-world traffic datasets: PEMS-BAY and METR-LA, which show that GT-CausIn significantly outperforms the state-of-the-art models on mid-term and long-term prediction.

Numerous models have tried to effectively embed knowledge graphs in low dimensions. Among the state-of-the-art methods, Graph Neural Network (GNN) models provide structure-aware representations of knowledge graphs. However, they often utilize the information of relations and their interactions with entities inefficiently. Moreover, most state-of-the-art knowledge graph embedding models suffer from scalability issues because of assigning high-dimensional embeddings to entities and relations. To address the above limitations, we propose a scalable general knowledge graph encoder that adaptively involves a powerful tensor decomposition method in the aggregation function of RGCN, a well-known relational GNN model. Specifically, the parameters of a low-rank core projection tensor, used to transform neighborhood entities in the encoder, are shared across relations to benefit from multi-task learning and incorporate relations information effectively. Besides, we propose a low-rank estimation of the core tensor using CP decomposition to compress the model, which is also applicable, as a regularization method, to other similar linear models. We evaluated our model on knowledge graph completion as a common downstream task. We train our model for using a new loss function based on contrastive learning, which relieves the training limitation of the 1-N method on huge graphs. We improved RGCN performance on FB15-237 by 0.42% with considerably lower dimensionality of embeddings.

Theory of Mind is an essential ability of humans to infer the mental states of others. Here we provide a coherent summary of the potential, current progress, and problems of deep learning approaches to Theory of Mind. We highlight that many current findings can be explained through shortcuts. These shortcuts arise because the tasks used to investigate Theory of Mind in deep learning systems have been too narrow. Thus, we encourage researchers to investigate Theory of Mind in complex open-ended environments. Furthermore, to inspire future deep learning systems we provide a concise overview of prior work done in humans. We further argue that when studying Theory of Mind with deep learning, the research's main focus and contribution ought to be opening up the network's representations. We recommend researchers use tools from the field of interpretability of AI to study the relationship between different network components and aspects of Theory of Mind.

In this work we demonstrate a novel separation between symmetric neural network architectures. Specifically, we consider the Relational Network~\parencite{santoro2017simple} architecture as a natural generalization of the DeepSets~\parencite{zaheer2017deep} architecture, and study their representational gap. Under the restriction to analytic activation functions, we construct a symmetric function acting on sets of size $N$ with elements in dimension $D$, which can be efficiently approximated by the former architecture, but provably requires width exponential in $N$ and $D$ for the latter.

Weighted finite automata (WFAs) have been widely applied in many fields. One of the classic problems for WFAs is probability distribution estimation over sequences of discrete symbols. Although WFAs have been extended to deal with continuous input data, namely continuous WFAs (CWFAs), it is still unclear how to approximate density functions over sequences of continuous random variables using WFA-based models, due to the limitation on the expressiveness of the model as well as the tractability of approximating density functions via CWFAs. In this paper, we propose a nonlinear extension to the CWFA model to first improve its expressiveness, we refer to it as the nonlinear continuous WFAs (NCWFAs). Then we leverage the so-called RNADE method, which is a well-known density estimator based on neural networks, and propose the RNADE-NCWFA model. The RNADE-NCWFA model computes a density function by design. We show that this model is strictly more expressive than the Gaussian HMM model, which CWFA cannot approximate. Empirically, we conduct a synthetic experiment using Gaussian HMM generated data. We focus on evaluating the model's ability to estimate densities for sequences of varying lengths (longer length than the training data). We observe that our model performs the best among the compared baseline methods.

Federated learning allows collaborative workers to solve a machine learning problem while preserving data privacy. Recent studies have tackled various challenges in federated learning, but the joint optimization of communication overhead, learning reliability, and deployment efficiency is still an open problem. To this end, we propose a new scheme named federated learning via plurality vote (FedVote). In each communication round of FedVote, workers transmit binary or ternary weights to the server with low communication overhead. The model parameters are aggregated via weighted voting to enhance the resilience against Byzantine attacks. When deployed for inference, the model with binary or ternary weights is resource-friendly to edge devices. We show that our proposed method can reduce quantization error and converges faster compared with the methods directly quantizing the model updates.

WiFi sensing technology has shown superiority in smart homes among various sensors for its cost-effective and privacy-preserving merits. It is empowered by Channel State Information (CSI) extracted from WiFi signals and advanced machine learning models to analyze motion patterns in CSI. Many learning-based models have been proposed for kinds of applications, but they severely suffer from environmental dependency. Though domain adaptation methods have been proposed to tackle this issue, it is not practical to collect high-quality, well-segmented and balanced CSI samples in a new environment for adaptation algorithms, but randomly-captured CSI samples can be easily collected. {\color{black}In this paper, we firstly explore how to learn a robust model from these low-quality CSI samples, and propose AutoFi, an annotation-efficient WiFi sensing model based on a novel geometric self-supervised learning algorithm.} The AutoFi fully utilizes unlabeled low-quality CSI samples that are captured randomly, and then transfers the knowledge to specific tasks defined by users, which is the first work to achieve cross-task transfer in WiFi sensing. The AutoFi is implemented on a pair of Atheros WiFi APs for evaluation. The AutoFi transfers knowledge from randomly collected CSI samples into human gait recognition and achieves state-of-the-art performance. Furthermore, we simulate cross-task transfer using public datasets to further demonstrate its capacity for cross-task learning. For the UT-HAR and Widar datasets, the AutoFi achieves satisfactory results on activity recognition and gesture recognition without any prior training. We believe that the AutoFi takes a huge step toward automatic WiFi sensing without any developer engagement.

The spectra of random feature matrices provide essential information on the conditioning of the linear system used in random feature regression problems and are thus connected to the consistency and generalization of random feature models. Random feature matrices are asymmetric rectangular nonlinear matrices depending on two input variables, the data and the weights, which can make their characterization challenging. We consider two settings for the two input variables, either both are random variables or one is a random variable and the other is well-separated, i.e. there is a minimum distance between points. With conditions on the dimension, the complexity ratio, and the sampling variance, we show that the singular values of these matrices concentrate near their full expectation and near one with high-probability. In particular, since the dimension depends only on the logarithm of the number of random weights or the number of data points, our complexity bounds can be achieved even in moderate dimensions for many practical setting. The theoretical results are verified with numerical experiments.

Bayesian optimization (BO) is one of the most effective methods for closed-loop experimental design and black-box optimization. However, a key limitation of BO is that it is an inherently sequential algorithm (one experiment is proposed per round) and thus cannot directly exploit high-throughput (parallel) experiments. Diverse modifications to the BO framework have been proposed in the literature to enable exploitation of parallel experiments but such approaches are limited in the degree of parallelization that they can achieve and can lead to redundant experiments (thus wasting resources and potentially compromising performance). In this work, we present new parallel BO paradigms that exploit the structure of the system to partition the design space. Specifically, we propose an approach that partitions the design space by following the level sets of the performance function and an approach that exploits partially-separable structures of the performance function found. We conduct extensive numerical experiments using a reactor case study to benchmark the effectiveness of these approaches against a variety of state-of-the-art parallel algorithms reported in the literature. Our computational results show that our approaches significantly reduce the required search time and increase the probability of finding a global (rather than local) solution.

We investigate the parameterization of deep neural networks that by design satisfy the continuity equation, a fundamental conservation law. This is enabled by the observation that any solution of the continuity equation can be represented as a divergence-free vector field. We hence propose building divergence-free neural networks through the concept of differential forms, and with the aid of automatic differentiation, realize two practical constructions. As a result, we can parameterize pairs of densities and vector fields that always exactly satisfy the continuity equation, foregoing the need for extra penalty methods or expensive numerical simulation. Furthermore, we prove these models are universal and so can be used to represent any divergence-free vector field. Finally, we experimentally validate our approaches by computing neural network-based solutions to fluid equations, solving for the Hodge decomposition, and learning dynamical optimal transport maps.

We revisit a simple Learning-from-Scratch baseline for visuo-motor control that uses data augmentation and a shallow ConvNet. We find that this baseline has competitive performance with recent methods that leverage frozen visual representations trained on large-scale vision datasets.

Malaria is a potentially fatal plasmodium parasite injected by female anopheles mosquitoes that infect red blood cells and millions worldwide yearly. However, specialists' manual screening in clinical practice is laborious and prone to error. Therefore, a novel Deep Boosted and Ensemble Learning (DBEL) framework, comprising the stacking of new Boosted-BR-STM convolutional neural networks (CNN) and the ensemble ML classifiers, is developed to screen malaria parasite images. The proposed Boosted-BR-STM is based on a new dilated-convolutional block-based split transform merge (STM) and feature-map Squeezing-Boosting (SB) ideas. Moreover, the new STM block uses regional and boundary operations to learn the malaria parasite's homogeneity, heterogeneity, and boundary with patterns. Furthermore, the diverse boosted channels are attained by employing Transfer Learning-based new feature-map SB in STM blocks at the abstract, medium, and conclusion levels to learn minute intensity and texture variation of the parasitic pattern. The proposed DBEL framework implicates the stacking of prominent and diverse boosted channels and provides the generated discriminative features of the developed Boosted-BR-STM to the ensemble of ML classifiers. The proposed framework improves the discrimination ability and generalization of ensemble learning. Moreover, the deep feature spaces of the developed Boosted-BR-STM and customized CNNs are fed into ML classifiers for comparative analysis. The proposed DBEL framework outperforms the existing techniques on the NIH malaria dataset that are enhanced using discrete wavelet transform to enrich feature space. The proposed DBEL framework achieved Accuracy (98.50%), Sensitivity (0.9920), F-score (0.9850), and AUC (0.997), which suggest it to be utilized for malaria parasite screening.

Understanding customer feedback is becoming a necessity for companies to identify problems and improve their products and services. Text classification and sentiment analysis can play a major role in analyzing this data by using a variety of machine and deep learning approaches. In this work, different transformer-based models are utilized to explore how efficient these models are when working with a German customer feedback dataset. In addition, these pre-trained models are further analyzed to determine if adapting them to a specific domain using unlabeled data can yield better results than off-the-shelf pre-trained models. To evaluate the models, two downstream tasks from the GermEval 2017 are considered. The experimental results show that transformer-based models can reach significant improvements compared to a fastText baseline and outperform the published scores and previous models. For the subtask Relevance Classification, the best models achieve a micro-averaged $F1$-Score of 96.1 % on the first test set and 95.9 % on the second one, and a score of 85.1 % and 85.3 % for the subtask Polarity Classification.

We introduce the XPER (eXplainable PERformance) methodology to measure the specific contribution of the input features to the predictive or economic performance of a model. Our methodology offers several advantages. First, it is both model-agnostic and performance metric-agnostic. Second, XPER is theoretically founded as it is based on Shapley values. Third, the interpretation of the benchmark, which is inherent in any Shapley value decomposition, is meaningful in our context. Fourth, XPER is not plagued by model specification error, as it does not require re-estimating the model. Fifth, it can be implemented either at the model level or at the individual level. In an application based on auto loans, we find that performance can be explained by a surprisingly small number of features. XPER decompositions are rather stable across metrics, yet some feature contributions switch sign across metrics. Our analysis also shows that explaining model forecasts and model performance are two distinct tasks.

In this work, we propose a family of novel quantum kernels, namely the Hierarchical Aligned Quantum Jensen-Shannon Kernels (HAQJSK), for un-attributed graphs. Different from most existing classical graph kernels, the proposed HAQJSK kernels can incorporate hierarchical aligned structure information between graphs and transform graphs of random sizes into fixed-sized aligned graph structures, i.e., the Hierarchical Transitive Aligned Adjacency Matrix of vertices and the Hierarchical Transitive Aligned Density Matrix of the Continuous-Time Quantum Walk (CTQW). For a pair of graphs to hand, the resulting HAQJSK kernels are defined by measuring the Quantum Jensen-Shannon Divergence (QJSD) between their transitive aligned graph structures. We show that the proposed HAQJSK kernels not only reflect richer intrinsic global graph characteristics in terms of the CTQW, but also address the drawback of neglecting structural correspondence information arising in most existing R-convolution kernels. Furthermore, unlike the previous Quantum Jensen-Shannon Kernels associated with the QJSD and the CTQW, the proposed HAQJSK kernels can simultaneously guarantee the properties of permutation invariant and positive definiteness, explaining the theoretical advantages of the HAQJSK kernels. Experiments indicate the effectiveness of the proposed kernels.

Model-based reinforcement learning (RL) is a sample-efficient way of learning complex behaviors by leveraging a learned single-step dynamics model to plan actions in imagination. However, planning every action for long-horizon tasks is not practical, akin to a human planning out every muscle movement. Instead, humans efficiently plan with high-level skills to solve complex tasks. From this intuition, we propose a Skill-based Model-based RL framework (SkiMo) that enables planning in the skill space using a skill dynamics model, which directly predicts the skill outcomes, rather than predicting all small details in the intermediate states, step by step. For accurate and efficient long-term planning, we jointly learn the skill dynamics model and a skill repertoire from prior experience. We then harness the learned skill dynamics model to accurately simulate and plan over long horizons in the skill space, which enables efficient downstream learning of long-horizon, sparse reward tasks. Experimental results in navigation and manipulation domains show that SkiMo extends the temporal horizon of model-based approaches and improves the sample efficiency for both model-based RL and skill-based RL. Code and videos are available at https://clvrai.com/skimo

Machine Learning as a service (MLaaS) permits resource-limited clients to access powerful data analytics services ubiquitously. Despite its merits, MLaaS poses significant concerns regarding the integrity of delegated computation and the privacy of the server's model parameters. To address this issue, Zhang et al. (CCS'20) initiated the study of zero-knowledge Machine Learning (zkML). Few zkML schemes have been proposed afterward; however, they focus on sole ML classification algorithms that may not offer satisfactory accuracy or require large-scale training data and model parameters, which may not be desirable for some applications. We propose ezDPS, a new efficient and zero-knowledge ML inference scheme. Unlike prior works, ezDPS is a zkML pipeline in which the data is processed in multiple stages for high accuracy. Each stage of ezDPS is harnessed with an established ML algorithm that is shown to be effective in various applications, including Discrete Wavelet Transformation, Principal Components Analysis, and Support Vector Machine. We design new gadgets to prove ML operations effectively. We fully implemented ezDPS and assessed its performance on real datasets. Experimental results showed that ezDPS achieves one-to-three orders of magnitude more efficient than the generic circuit-based approach in all metrics while maintaining more desirable accuracy than single ML classification approaches.

Although considerable progress has been obtained in neural network quantization for efficient inference, existing methods are not scalable to heterogeneous devices as one dedicated model needs to be trained, transmitted, and stored for one specific hardware setting, incurring considerable costs in model training and maintenance. In this paper, we study a new vertical-layered representation of neural network weights for encapsulating all quantized models into a single one. With this representation, we can theoretically achieve any precision network for on-demand service while only needing to train and maintain one model. To this end, we propose a simple once quantization-aware training (QAT) scheme for obtaining high-performance vertical-layered models. Our design incorporates a cascade downsampling mechanism which allows us to obtain multiple quantized networks from one full precision source model by progressively mapping the higher precision weights to their adjacent lower precision counterparts. Then, with networks of different bit-widths from one source model, multi-objective optimization is employed to train the shared source model weights such that they can be updated simultaneously, considering the performance of all networks. By doing this, the shared weights will be optimized to balance the performance of different quantized models, thus making the weights transferable among different bit widths. Experiments show that the proposed vertical-layered representation and developed once QAT scheme are effective in embodying multiple quantized networks into a single one and allow one-time training, and it delivers comparable performance as that of quantized models tailored to any specific bit-width. Code will be available.

Inserting an SVD meta-layer into neural networks is prone to make the covariance ill-conditioned, which could harm the model in the training stability and generalization abilities. In this paper, we systematically study how to improve the covariance conditioning by enforcing orthogonality to the Pre-SVD layer. Existing orthogonal treatments on the weights are first investigated. However, these techniques can improve the conditioning but would hurt the performance. To avoid such a side effect, we propose the Nearest Orthogonal Gradient (NOG) and Optimal Learning Rate (OLR). The effectiveness of our methods is validated in two applications: decorrelated Batch Normalization (BN) and Global Covariance Pooling (GCP). Extensive experiments on visual recognition demonstrate that our methods can simultaneously improve covariance conditioning and generalization. The combinations with orthogonal weight can further boost the performance. Moreover, we show that our orthogonality techniques can benefit generative models for better latent disentanglement through a series of experiments on various benchmarks. Code is available at: \href{https://github.com/KingJamesSong/OrthoImproveCond}{https://github.com/KingJamesSong/OrthoImproveCond}.

Traffic signal control is an important problem in urban mobility with a significant potential of economic and environmental impact. While there is a growing interest in Reinforcement Learning (RL) for traffic signal control, the work so far has focussed on learning through simulations which could lead to inaccuracies due to simplifying assumptions. Instead, real experience data on traffic is available and could be exploited at minimal costs. Recent progress in offline or batch RL has enabled just that. Model-based offline RL methods, in particular, have been shown to generalize from the experience data much better than others. We build a model-based learning framework which infers a Markov Decision Process (MDP) from a dataset collected using a cyclic traffic signal control policy that is both commonplace and easy to gather. The MDP is built with pessimistic costs to manage out-of-distribution scenarios using an adaptive shaping of rewards which is shown to provide better regularization compared to the prior related work in addition to being PAC-optimal. Our model is evaluated on a complex signalized roundabout showing that it is possible to build highly performant traffic control policies in a data efficient manner.

Computational models are quantitative representations of systems. By analyzing and comparing the outputs of such models, it is possible to gain a better understanding of the system itself. Though as the complexity of model outputs increases, it becomes increasingly difficult to compare simulations to each other. While it is straightforward to only compare a few specific model outputs across multiple simulations, additional useful information can come from comparing model simulations as a whole. However, it is difficult to holistically compare model simulations in an unbiased manner. To address these limitations, we use representation learning to transform model simulations into low-dimensional points, with the neural networks capturing the relationships between the model outputs without the need to manually specify which outputs to focus on. The distance in low-dimensional space acts as a comparison metric, reducing the difference between simulations to a single value. We provide an approach to training neural networks on model simulations and display how the trained networks can then be used to provide a holistic comparison of model outputs. This approach can be applied to a wide range of model types, providing a quantitative method of analyzing the complex outputs of computational models.

Embedding tables are usually huge in click-through rate (CTR) prediction models. To train and deploy the CTR models efficiently and economically, it is necessary to compress their embedding tables at the training stage. To this end, we formulate a novel quantization training paradigm to compress the embeddings from the training stage, termed low-precision training (LPT). Also, we provide theoretical analysis on its convergence. The results show that stochastic weight quantization has a faster convergence rate and a smaller convergence error than deterministic weight quantization in LPT. Further, to reduce the accuracy degradation, we propose adaptive low-precision training (ALPT) that learns the step size (i.e., the quantization resolution) through gradient descent. Experiments on two real-world datasets confirm our analysis and show that ALPT can significantly improve the prediction accuracy, especially at extremely low bit widths. For the first time in CTR models, we successfully train 8-bit embeddings without sacrificing prediction accuracy. The code of ALPT is publicly available.

We develop an optimization algorithm suitable for Bayesian learning in complex models. Our approach relies on natural gradient updates within a general black-box framework for efficient training with limited model-specific derivations. It applies within the class of exponential-family variational posterior distributions, for which we extensively discuss the Gaussian case for which the updates have a rather simple form. Our Quasi Black-box Variational Inference (QBVI) framework is readily applicable to a wide class of Bayesian inference problems and is of simple implementation as the updates of the variational posterior do not involve gradients with respect to the model parameters, nor the prescription of the Fisher information matrix. We develop QBVI under different hypotheses for the posterior covariance matrix, discuss details about its robust and feasible implementation, and provide a number of real-world applications to demonstrate its effectiveness.

In recent years, deep learning (DL) models have demonstrated remarkable achievements on non-trivial tasks such as speech recognition and natural language understanding. One of the significant contributors to its success is the proliferation of end devices that acted as a catalyst to provide data for data-hungry DL models. However, computing DL training and inference is the main challenge. Usually, central cloud servers are used for the computation, but it opens up other significant challenges, such as high latency, increased communication costs, and privacy concerns. To mitigate these drawbacks, considerable efforts have been made to push the processing of DL models to edge servers. Moreover, the confluence point of DL and edge has given rise to edge intelligence (EI). This survey paper focuses primarily on the fifth level of EI, called all in-edge level, where DL training and inference (deployment) are performed solely by edge servers. All in-edge is suitable when the end devices have low computing resources, e.g., Internet-of-Things, and other requirements such as latency and communication cost are important in mission-critical applications, e.g., health care. Firstly, this paper presents all in-edge computing architectures, including centralized, decentralized, and distributed. Secondly, this paper presents enabling technologies, such as model parallelism and split learning, which facilitate DL training and deployment at edge servers. Thirdly, model adaptation techniques based on model compression and conditional computation are described because the standard cloud-based DL deployment cannot be directly applied to all in-edge due to its limited computational resources. Fourthly, this paper discusses eleven key performance metrics to evaluate the performance of DL at all in-edge efficiently. Finally, several open research challenges in the area of all in-edge are presented.

Few-shot node classification is tasked to provide accurate predictions for nodes from novel classes with only few representative labeled nodes. This problem has drawn tremendous attention for its projection to prevailing real-world applications, such as product categorization for newly added commodity categories on an E-commerce platform with scarce records or diagnoses for rare diseases on a patient similarity graph. To tackle such challenging label scarcity issues in the non-Euclidean graph domain, meta-learning has become a successful and predominant paradigm. More recently, inspired by the development of graph self-supervised learning, transferring pretrained node embeddings for few-shot node classification could be a promising alternative to meta-learning but remains unexposed. In this work, we empirically demonstrate the potential of an alternative framework, \textit{Transductive Linear Probing}, that transfers pretrained node embeddings, which are learned from graph contrastive learning methods. We further extend the setting of few-shot node classification from standard fully supervised to a more realistic self-supervised setting, where meta-learning methods cannot be easily deployed due to the shortage of supervision from training classes. Surprisingly, even without any ground-truth labels, transductive linear probing with self-supervised graph contrastive pretraining can outperform the state-of-the-art fully supervised meta-learning based methods under the same protocol. We hope this work can shed new light on few-shot node classification problems and foster future research on learning from scarcely labeled instances on graphs.

Quantization has become a predominant approach for model compression, enabling deployment of large models trained on GPUs onto smaller form-factor devices for inference. Quantization-aware training (QAT) optimizes model parameters with respect to the end task while simulating quantization error, leading to better performance than post-training quantization. Approximation of gradients through the non-differentiable quantization operator is typically achieved using the straight-through estimator (STE) or additive noise. However, STE-based methods suffer from instability due to biased gradients, whereas existing noise-based methods cannot reduce the resulting variance. In this work, we incorporate exponentially decaying quantization-error-aware noise together with a learnable scale of task loss gradient to approximate the effect of a quantization operator. We show this method combines gradient scale and quantization noise in a better optimized way, providing finer-grained estimation of gradients at each weight and activation layer's quantizer bin size. Our controlled noise also contains an implicit curvature term that could encourage flatter minima, which we show is indeed the case in our experiments. Experiments training ResNet architectures on the CIFAR-10, CIFAR-100 and ImageNet benchmarks show that our method obtains state-of-the-art top-1 classification accuracy for uniform (non mixed-precision) quantization, out-performing previous methods by 0.5-1.2% absolute.

Particle dynamics and multi-agent systems provide accurate dynamical models for studying and forecasting the behavior of complex interacting systems. They often take the form of a high-dimensional system of differential equations parameterized by an interaction kernel that models the underlying attractive or repulsive forces between agents. We consider the problem of constructing a data-based approximation of the interacting forces directly from noisy observations of the paths of the agents in time. The learned interaction kernels are then used to predict the agents behavior over a longer time interval. The approximation developed in this work uses a randomized feature algorithm and a sparse randomized feature approach. Sparsity-promoting regression provides a mechanism for pruning the randomly generated features which was observed to be beneficial when one has limited data, in particular, leading to less overfitting than other approaches. In addition, imposing sparsity reduces the kernel evaluation cost which significantly lowers the simulation cost for forecasting the multi-agent systems. Our method is applied to various examples, including first-order systems with homogeneous and heterogeneous interactions, second order homogeneous systems, and a new sheep swarming system.

Neural networks are becoming increasingly popular in applications, but our mathematical understanding of their potential and limitations is still limited. In this paper, we further this understanding by developing statistical guarantees for sparse deep learning. In contrast to previous work, we consider different types of sparsity, such as few active connections, few active nodes, and other norm-based types of sparsity. Moreover, our theories cover important aspects that previous theories have neglected, such as multiple outputs, regularization, and l2-loss. The guarantees have a mild dependence on network widths and depths, which means that they support the application of sparse but wide and deep networks from a statistical perspective. Some of the concepts and tools that we use in our derivations are uncommon in deep learning and, hence, might be of additional interest.

The success of graph neural networks on graph-based web mining highly relies on abundant human-annotated data, which is laborious to obtain in practice. When only few labeled nodes are available, how to improve their robustness is a key to achieve replicable and sustainable graph semi-supervised learning. Though self-training has been shown to be powerful for semi-supervised learning, its application on graph-structured data may fail because (1) larger receptive fields are not leveraged to capture long-range node interactions, which exacerbates the difficulty of propagating feature-label patterns from labeled nodes to unlabeled nodes; and (2) limited labeled data makes it challenging to learn well-separated decision boundaries for different node classes without explicitly capturing the underlying semantic structure. To address the challenges of capturing informative structural and semantic knowledge, we propose a new graph data augmentation framework, AGST (Augmented Graph Self-Training), which is built with two new (i.e., structural and semantic) augmentation modules on top of a decoupled GST backbone. In this work, we investigate whether this novel framework can learn a robust graph predictive model under the low-data context. We conduct comprehensive evaluations on semi-supervised node classification under different scenarios of limited labeled-node data. The experimental results demonstrate the unique contributions of the novel data augmentation framework for node classification with few labeled data.

Deep neural networks (DNNs) recently emerged as a promising tool for analyzing and solving complex differential equations arising in science and engineering applications. Alternative to traditional numerical schemes, learning-based solvers utilize the representation power of DNNs to approximate the input-output relations in an automated manner. However, the lack of physics-in-the-loop often makes it difficult to construct a neural network solver that simultaneously achieves high accuracy, low computational burden, and interpretability. In this work, focusing on a class of evolutionary PDEs characterized by having decomposable operators, we show that the classical ``operator splitting'' numerical scheme of solving these equations can be exploited to design neural network architectures. This gives rise to a learning-based PDE solver, which we name Deep Operator-Splitting Network (DOSnet). Such non-black-box network design is constructed from the physical rules and operators governing the underlying dynamics contains learnable parameters, and is thus more flexible than the standard operator splitting scheme. Once trained, it enables the fast solution of the same type of PDEs. To validate the special structure inside DOSnet, we take the linear PDEs as the benchmark and give the mathematical explanation for the weight behavior. Furthermore, to demonstrate the advantages of our new AI-enhanced PDE solver, we train and validate it on several types of operator-decomposable differential equations. We also apply DOSnet to nonlinear Schr\"odinger equations (NLSE) which have important applications in the signal processing for modern optical fiber transmission systems, and experimental results show that our model has better accuracy and lower computational complexity than numerical schemes and the baseline DNNs.

Non-Pharmaceutical Interventions (NPIs), such as social gathering restrictions, have shown effectiveness to slow the transmission of COVID-19 by reducing the contact of people. To support policy-makers, multiple studies have first modeled human mobility via macro indicators (e.g., average daily travel distance) and then studied the effectiveness of NPIs. In this work, we focus on mobility modeling and, from a micro perspective, aim to predict locations that will be visited by COVID-19 cases. Since NPIs generally cause economic and societal loss, such a micro perspective prediction benefits governments when they design and evaluate them. However, in real-world situations, strict privacy data protection regulations result in severe data sparsity problems (i.e., limited case and location information). To address these challenges, we formulate the micro perspective mobility modeling into computing the relevance score between a diffusion and a location, conditional on a geometric graph. we propose a model named Deep Graph Diffusion Infomax (DGDI), which jointly models variables including a geometric graph, a set of diffusions and a set of locations.To facilitate the research of COVID-19 prediction, we present two benchmarks that contain geometric graphs and location histories of COVID-19 cases. Extensive experiments on the two benchmarks show that DGDI significantly outperforms other competing methods.

Online ride-hailing services have become a prevalent transportation system across the world. In this paper, we study a challenging problem of how to direct vacant taxis around a city such that supplies and demands can be balanced in online ride-hailing services. We design a new reward scheme that considers multiple performance metrics of online ride-hailing services. We also propose a novel deep reinforcement learning method named Deep-Q-Network with Action Mask (AM-DQN) masking off unnecessary actions in various locations such that agents can learn much faster and more efficiently. We conduct extensive experiments using a city-scale dataset from Chicago. Several popular heuristic and learning methods are also implemented as baselines for comparison. The results of the experiments show that the AM-DQN attains the best performances of all methods with respect to average failure rate, average waiting time for customers, and average idle search time for vacant taxis.

A deep learning strategy is developed for fast and accurate gas property measurements using flame emission spectroscopy (FES). Particularly, the short-gated fast FES is essential to resolve fast-evolving combustion behaviors. However, as the exposure time for capturing the flame emission spectrum gets shorter, the signal-to-noise ratio (SNR) decreases, and characteristic spectral features indicating the gas properties become relatively weaker. Then, the property estimation based on the short-gated spectrum is difficult and inaccurate. Denoising convolutional neural networks (CNN) can enhance the SNR of the short-gated spectrum. A new CNN architecture including a reversible down- and up-sampling (DU) operator and a loss function based on proper orthogonal decomposition (POD) coefficients is proposed. For training and testing the CNN, flame chemiluminescence spectra were captured from a stable methane-air flat flame using a portable spectrometer (spectral range: 250 - 850 nm, resolution: 0.5 nm) with varied equivalence ratio (0.8 - 1.2), pressure (1 - 10 bar), and exposure time (0.05, 0.2, 0.4, and 2 s). The long exposure (2 s) spectra were used as the ground truth when training the denoising CNN. A kriging model with POD is trained by the long-gated spectra for calibration, and then the prediction of the gas properties taking the denoised short-gated spectrum as the input: The property prediction errors of pressure and equivalence ratio were remarkably lowered in spite of the low SNR attendant with reduced exposure.

Safety comes first in many real-world applications involving autonomous agents. Despite a large number of reinforcement learning (RL) methods focusing on safety-critical tasks, there is still a lack of high-quality evaluation of those algorithms that adheres to safety constraints at each decision step under complex and unknown dynamics. In this paper, we revisit prior work in this scope from the perspective of state-wise safe RL and categorize them as projection-based, recovery-based, and optimization-based approaches, respectively. Furthermore, we propose Unrolling Safety Layer (USL), a joint method that combines safety optimization and safety projection. This novel technique explicitly enforces hard constraints via the deep unrolling architecture and enjoys structural advantages in navigating the trade-off between reward improvement and constraint satisfaction. To facilitate further research in this area, we reproduce related algorithms in a unified pipeline and incorporate them into SafeRL-Kit, a toolkit that provides off-the-shelf interfaces and evaluation utilities for safety-critical tasks. We then perform a comparative study of the involved algorithms on six benchmarks ranging from robotic control to autonomous driving. The empirical results provide an insight into their applicability and robustness in learning zero-cost-return policies without task-dependent handcrafting. The project page is available at https://sites.google.com/view/saferlkit.

We describe an algorithm that learns two-layer residual units using rectified linear unit (ReLU) activation: suppose the input $\mathbf{x}$ is from a distribution with support space $\mathbb{R}^d$ and the ground-truth generative model is a residual unit of this type, given by $\mathbf{y} = \boldsymbol{B}^\ast\left[\left(\boldsymbol{A}^\ast\mathbf{x}\right)^+ + \mathbf{x}\right]$, where ground-truth network parameters $\boldsymbol{A}^\ast \in \mathbb{R}^{d\times d}$ represent a full-rank matrix with nonnegative entries and $\boldsymbol{B}^\ast \in \mathbb{R}^{m\times d}$ is full-rank with $m \geq d$ and for $\boldsymbol{c} \in \mathbb{R}^d$, $[\boldsymbol{c}^{+}]_i = \max\{0, c_i\}$. We design layer-wise objectives as functionals whose analytic minimizers express the exact ground-truth network in terms of its parameters and nonlinearities. Following this objective landscape, learning residual units from finite samples can be formulated using convex optimization of a nonparametric function: for each layer, we first formulate the corresponding empirical risk minimization (ERM) as a positive semi-definite quadratic program (QP), then we show the solution space of the QP can be equivalently determined by a set of linear inequalities, which can then be efficiently solved by linear programming (LP). We further prove the strong statistical consistency of our algorithm, and demonstrate its robustness and sample efficiency through experimental results on synthetic data and a set of benchmark regression datasets.

Although machine learning based algorithms have been extensively used for detecting phishing websites, there has been relatively little work on how adversaries may attack such "phishing detectors" (PDs for short). In this paper, we propose a set of Gray-Box attacks on PDs that an adversary may use which vary depending on the knowledge that he has about the PD. We show that these attacks severely degrade the effectiveness of several existing PDs. We then propose the concept of operation chains that iteratively map an original set of features to a new set of features and develop the "Protective Operation Chain" (POC for short) algorithm. POC leverages the combination of random feature selection and feature mappings in order to increase the attacker's uncertainty about the target PD. Using 3 existing publicly available datasets plus a fourth that we have created and will release upon the publication of this paper, we show that POC is more robust to these attacks than past competing work, while preserving predictive performance when no adversarial attacks are present. Moreover, POC is robust to attacks on 13 different classifiers, not just one. These results are shown to be statistically significant at the p < 0.001 level.

This paper presents SVAM (Sequential Variance-Altered MLE), a unified framework for learning generalized linear models under adversarial label corruption in training data. SVAM extends to tasks such as least squares regression, logistic regression, and gamma regression, whereas many existing works on learning with label corruptions focus only on least squares regression. SVAM is based on a novel variance reduction technique that may be of independent interest and works by iteratively solving weighted MLEs over variance-altered versions of the GLM objective. SVAM offers provable model recovery guarantees superior to the state-of-the-art for robust regression even when a constant fraction of training labels are adversarially corrupted. SVAM also empirically outperforms several existing problem-specific techniques for robust regression and classification. Code for SVAM is available at https://github.com/purushottamkar/svam/

Sleep is an essential behavior to prevent the decrement of cognitive, motor, and emotional performance and various diseases. However, it is not easy to fall asleep when people want to sleep. There are various sleep-disturbing factors such as the COVID-19 situation, noise from outside, and light during the night. We aim to develop a personalized sleep induction system based on mental states using electroencephalogram and auditory stimulation. Our system analyzes users' mental states using an electroencephalogram and results of the Pittsburgh sleep quality index and Brunel mood scale. According to mental states, the system plays sleep induction sound among five auditory stimulation: white noise, repetitive beep sounds, rainy sound, binaural beat, and sham sound. Finally, the sleep-inducing system classified the sleep stage of participants with 94.7 percent and stopped auditory stimulation if participants showed non-rapid eye movement sleep. Our system makes 18 participants fall asleep among 20 participants.

The research on text summarization for low-resource Indian languages has been limited due to the availability of relevant datasets. This paper presents a summary of various deep-learning approaches used for the ILSUM 2022 Indic language summarization datasets. The ISUM 2022 dataset consists of news articles written in Indian English, Hindi, and Gujarati respectively, and their ground-truth summarizations. In our work, we explore different pre-trained seq2seq models and fine-tune those with the ILSUM 2022 datasets. In our case, the fine-tuned SoTA PEGASUS model worked the best for English, the fine-tuned IndicBART model with augmented data for Hindi, and again fine-tuned PEGASUS model along with a translation mapping-based approach for Gujarati. Our scores on the obtained inferences were evaluated using ROUGE-1, ROUGE-2, and ROUGE-4 as the evaluation metrics.

Federated learning enables cooperative training among massively distributed clients by sharing their learned local model parameters. However, with increasing model size, deploying federated learning requires a large communication bandwidth, which limits its deployment in wireless networks. To address this bottleneck, we introduce a residual-based federated learning framework (ResFed), where residuals rather than model parameters are transmitted in communication networks for training. In particular, we integrate two pairs of shared predictors for the model prediction in both server-to-client and client-to-server communication. By employing a common prediction rule, both locally and globally updated models are always fully recoverable in clients and the server. We highlight that the residuals only indicate the quasi-update of a model in a single inter-round, and hence contain more dense information and have a lower entropy than the model, comparing to model weights and gradients. Based on this property, we further conduct lossy compression of the residuals by sparsification and quantization and encode them for efficient communication. The experimental evaluation shows that our ResFed needs remarkably less communication costs and achieves better accuracy by leveraging less sensitive residuals, compared to standard federated learning. For instance, to train a 4.08 MB CNN model on CIFAR-10 with 10 clients under non-independent and identically distributed (Non-IID) setting, our approach achieves a compression ratio over 700X in each communication round with minimum impact on the accuracy. To reach an accuracy of 70%, it saves around 99% of the total communication volume from 587.61 Mb to 6.79 Mb in up-streaming and to 4.61 Mb in down-streaming on average for all clients.

Automated decision support systems promise to help human experts solve tasks more efficiently and accurately. However, existing systems typically require experts to understand when to cede agency to the system or when to exercise their own agency. Moreover, if the experts develop a misplaced trust in the system, their performance may worsen. In this work, we lift the above requirement and develop automated decision support systems that, by design, do not require experts to understand when each of their recommendations is accurate to improve their performance. To this end, we focus on multiclass classification tasks and consider an automated decision support system that, for each data sample, uses a classifier to recommend a subset of labels to a human expert. We first show that, by looking at the design of such a system from the perspective of conformal prediction, we can ensure that the probability that the recommended subset of labels contains the true label matches almost exactly a target probability value with high probability. Then, we develop an efficient and near-optimal search method to find the target probability value under which the expert benefits the most from using our system. Experiments on synthetic and real data demonstrate that our system can help the experts make more accurate predictions and is robust to the accuracy of the classifier it relies on.

Recent advancements in sensing and communication facilitate obtaining high-frequency real-time data from various physical systems like power networks, climate systems, biological networks, etc. However, since the data are recorded by physical sensors, it is natural that the obtained data is corrupted by measurement noise. In this paper, we present a novel algorithm for online real-time learning of dynamical systems from noisy time-series data, which employs the Robust Koopman operator framework to mitigate the effect of measurement noise. The proposed algorithm has three main advantages: a) it allows for online real-time monitoring of a dynamical system; b) it obtains a linear representation of the underlying dynamical system, thus enabling the user to use linear systems theory for analysis and control of the system; c) it is computationally fast and less intensive than the popular Extended Dynamic Mode Decomposition (EDMD) algorithm. We illustrate the efficiency of the proposed algorithm by applying it to identify the Van der Pol oscillator, the IEEE 68 bus system, and a ring network of Van der Pol oscillators.

Diffusion models are state-of-the-art deep learning empowered generative models that are trained based on the principle of learning forward and reverse diffusion processes via progressive noise-addition and denoising. To gain a better understanding of the limitations and potential risks, this paper presents the first study on the robustness of diffusion models against backdoor attacks. Specifically, we propose BadDiffusion, a novel attack framework that engineers compromised diffusion processes during model training for backdoor implantation. At the inference stage, the backdoored diffusion model will behave just like an untampered generator for regular data inputs, while falsely generating some targeted outcome designed by the bad actor upon receiving the implanted trigger signal. Such a critical risk can be dreadful for downstream tasks and applications built upon the problematic model. Our extensive experiments on various backdoor attack settings show that BadDiffusion can consistently lead to compromised diffusion models with high utility and target specificity. Even worse, BadDiffusion can be made cost-effective by simply finetuning a clean pre-trained diffusion model to implant backdoors. We also explore some possible countermeasures for risk mitigation. Our results call attention to potential risks and possible misuse of diffusion models.

Scoring rules promote rational and good decision making and predictions by models, this is increasingly important for automated procedures of `auto-ML'. The Brier score and Log loss are well-established scoring rules for classification and regression and possess the `strict properness' property that encourages optimal predictions. In this paper we survey proposed scoring rules for survival analysis, establish the first clear definition of `(strict) properness' for survival scoring rules, and determine which losses are proper and improper. We prove that commonly utilised scoring rules that are claimed to be proper are in fact improper. We further prove that under a strict set of assumptions a class of scoring rules is strictly proper for, what we term, `approximate' survival losses. We hope these findings encourage further research into robust validation of survival models and promote honest evaluation.

Estimating the effect of intervention from observational data while accounting for confounding variables is a key task in causal inference. Oftentimes, the confounders are unobserved, but we have access to large amounts of additional unstructured data (images, text) that contain valuable proxy signal about the missing confounders. This paper argues that leveraging this unstructured data can greatly improve the accuracy of causal effect estimation. Specifically, we introduce deep multi-modal structural equations, a generative model for causal effect estimation in which confounders are latent variables and unstructured data are proxy variables. This model supports multiple multi-modal proxies (images, text) as well as missing data. We empirically demonstrate that our approach outperforms existing methods based on propensity scores and corrects for confounding using unstructured inputs on tasks in genomics and healthcare. Our methods can potentially support the use of large amounts of data that were previously not used in causal inference

In recent years, the number of parameters of one deep learning (DL) model has been growing much faster than the growth of GPU memory space. People who are inaccessible to a large number of GPUs resort to heterogeneous training systems for storing model parameters in CPU memory. Existing heterogeneous systems are based on parallelization plans in the scope of the whole model. They apply a consistent parallel training method for all the operators in the computation. Therefore, engineers need to pay a huge effort to incorporate a new type of model parallelism and patch its compatibility with other parallelisms. For example, Mixture-of-Experts (MoE) is still incompatible with ZeRO-3 in Deepspeed. Also, current systems face efficiency problems on small scale, since they are designed and tuned for large-scale training. In this paper, we propose Elixir, a new parallel heterogeneous training system, which is designed for efficiency and flexibility. Elixir utilizes memory resources and computing resources of both GPU and CPU. For flexibility, Elixir generates parallelization plans in the granularity of operators. Any new type of model parallelism can be incorporated by assigning a parallel pattern to the operator. For efficiency, Elixir implements a hierarchical distributed memory management scheme to accelerate inter-GPU communications and CPU-GPU data transmissions. As a result, Elixir can train a 30B OPT model on an A100 with 40GB CUDA memory, meanwhile reaching 84% efficiency of Pytorch GPU training. With its super-linear scalability, the training efficiency becomes the same as Pytorch GPU training on multiple GPUs. Also, large MoE models can be trained 5.3x faster than dense models of the same size. Now Elixir is integrated into ColossalAI and is available on its main branch.

Artificial intelligence (AI) technologies revolutionize vast fields of society. Humans using these systems are likely to expect them to work in a potentially hyperrational manner. However, in this study, we show that some AI systems, namely large language models (LLMs), exhibit behavior that strikingly resembles human-like intuition - and the many cognitive errors that come with them. We use a state-of-the-art LLM, namely the latest iteration of OpenAI's Generative Pre-trained Transformer (GPT-3.5), and probe it with the Cognitive Reflection Test (CRT) as well as semantic illusions that were originally designed to investigate intuitive decision-making in humans. Our results show that GPT-3.5 systematically exhibits "machine intuition," meaning that it produces incorrect responses that are surprisingly equal to how humans respond to the CRT as well as to semantic illusions. We investigate several approaches to test how sturdy GPT-3.5's inclination for intuitive-like decision-making is. Our study demonstrates that investigating LLMs with methods from cognitive science has the potential to reveal emergent traits and adjust expectations regarding their machine behavior.

Warning: this paper contains content that may be offensive or upsetting. In the current context where online platforms have been effectively weaponized in a variety of geo-political events and social issues, Internet memes make fair content moderation at scale even more difficult. Existing work on meme classification and tracking has focused on black-box methods that do not explicitly consider the semantics of the memes or the context of their creation. In this paper, we pursue a modular and explainable architecture for Internet meme understanding. We design and implement multimodal classification methods that perform example- and prototype-based reasoning over training cases, while leveraging both textual and visual SOTA models to represent the individual cases. We study the relevance of our modular and explainable models in detecting harmful memes on two existing tasks: Hate Speech Detection and Misogyny Classification. We compare the performance between example- and prototype-based methods, and between text, vision, and multimodal models, across different categories of harmfulness (e.g., stereotype and objectification). We devise a user-friendly interface that facilitates the comparative analysis of examples retrieved by all of our models for any given meme, informing the community about the strengths and limitations of these explainable methods.

This paper first constructs a typical solution of ResNets for multi-category classifications by the principle of gate-network controls and deep-layer classifications, from which a general interpretation of the ResNet architecture is given and the performance mechanism is explained. We then use more solutions to further demonstrate the generality of that interpretation. The universal-approximation capability of ResNets is proved.

Graph processing applications are severely bottlenecked by memory system performance due to low data reuse and irregular memory accesses. While state-of-the-art prefetchers using Machine Learning (ML) have made great progress, they do not perform well on graph analytics applications due to phase transitions in the execution and irregular data access that is hard to predict. We propose MPGraph: a novel ML-based Prefetcher for Graph analytics. MPGraph makes three novel optimizations based on domain knowledge of graph analytics. It detects the transition of graph processing phases during execution using a novel soft detection technique, predicts memory accesses and pages using phase-specific multi-modality predictors, and prefetches using a novel chain spatio-temporal prefetching strategy. We evaluate our approach using three widely-used graph processing frameworks and a variety of graph datasets. Our approach achieves 34.17%-82.15% higher precision in phase transition detection than the KSWIN and decision tree baselines. Our predictors achieve 6.80%-16.02% higher F1-score for access prediction and 11.68%-15.41% higher accuracy-at-10 for page prediction compared with the baselines LSTM-based and vanilla attention-based models. Simulations show that MPGraph achieves on the average 87.16% (prefetch accuracy) and 73.29% (prefetch coverage), leading to 12.52%-21.23% IPC improvement. It outperforms the widely-used non-ML prefetcher BO by 7.58%-12.03%, and outperforms state-of-the-art ML-based prefetchers Voyager by 3.27%-4.42% and TransFetch by 3.73%-4.58% with respect to IPC improvement.

Gaussian Mixture Models (GMM) are one of the most potent parametric density estimators based on the kernel model that finds application in many scientific domains. In recent years, with the dramatic enlargement of data sources, typical machine learning algorithms, e.g. Expectation Maximization (EM), encounters difficulty with high-dimensional and streaming data. Moreover, complicated densities often demand a large number of Gaussian components. This paper proposes a fast online parameter estimation algorithm for GMM by using first-order stochastic optimization. This approach provides a framework to cope with the challenges of GMM when faced with high-dimensional streaming data and complex densities by leveraging the flexibly-tied factorization of the covariance matrix. A new stochastic Manifold optimization algorithm that preserves the orthogonality is introduced and used along with the well-known Euclidean space numerical optimization. Numerous empirical results on both synthetic and real datasets justify the effectiveness of our proposed stochastic method over EM-based methods in the sense of better-converged maximum for likelihood function, fewer number of needed epochs for convergence, and less time consumption per epoch.

Common measures of brain functional connectivity (FC) including covariance and correlation matrices are semi-positive definite (SPD) matrices residing on a cone-shape Riemannian manifold. Despite its remarkable success for Euclidean-valued data generation, use of standard generative adversarial networks (GANs) to generate manifold-valued FC data neglects its inherent SPD structure and hence the inter-relatedness of edges in real FC. We propose a novel graph-regularized manifold-aware conditional Wasserstein GAN (GR-SPD-GAN) for FC data generation on the SPD manifold that can preserve the global FC structure. Specifically, we optimize a generalized Wasserstein distance between the real and generated SPD data under an adversarial training, conditioned on the class labels. The resulting generator can synthesize new SPD-valued FC matrices associated with different classes of brain networks, e.g., brain disorder or healthy control. Furthermore, we introduce additional population graph-based regularization terms on both the SPD manifold and its tangent space to encourage the generator to respect the inter-subject similarity of FC patterns in the real data. This also helps in avoiding mode collapse and produces more stable GAN training. Evaluated on resting-state functional magnetic resonance imaging (fMRI) data of major depressive disorder (MDD), qualitative and quantitative results show that the proposed GR-SPD-GAN clearly outperforms several state-of-the-art GANs in generating more realistic fMRI-based FC samples. When applied to FC data augmentation for MDD identification, classification models trained on augmented data generated by our approach achieved the largest margin of improvement in classification accuracy among the competing GANs over baselines without data augmentation.

Simulating quantum channels is a fundamental primitive in quantum computing, since quantum channels define general (trace-preserving) quantum operations. An arbitrary quantum channel cannot be exactly simulated using a finite-dimensional programmable quantum processor, making it important to develop optimal approximate simulation techniques. In this paper, we study the challenging setting in which the channel to be simulated varies adversarially with time. We propose the use of matrix exponentiated gradient descent (MEGD), an online convex optimization method, and analytically show that it achieves a sublinear regret in time. Through experiments, we validate the main results for time-varying dephasing channels using a programmable generalized teleportation processor.

The key to electroencephalography (EEG)-based brain-computer interface (BCI) lies in neural decoding, and its accuracy can be improved by using hybrid BCI paradigms, that is, fusing multiple paradigms. However, hybrid BCIs usually require separate processing processes for EEG signals in each paradigm, which greatly reduces the efficiency of EEG feature extraction and the generalizability of the model. Here, we propose a two-stream convolutional neural network (TSCNN) based hybrid brain-computer interface. It combines steady-state visual evoked potential (SSVEP) and motor imagery (MI) paradigms. TSCNN automatically learns to extract EEG features in the two paradigms in the training process, and improves the decoding accuracy by 25.4% compared with the MI mode, and 2.6% compared with SSVEP mode in the test data. Moreover, the versatility of TSCNN is verified as it provides considerable performance in both single-mode (70.2% for MI, 93.0% for SSVEP) and hybrid-mode scenarios (95.6% for MI-SSVEP hybrid). Our work will facilitate the real-world applications of EEG-based BCI systems.

The mixture of Expert (MoE) parallelism is a recent advancement that scales up the model size with constant computational cost. MoE selects different sets of parameters (i.e., experts) for each incoming token, resulting in a sparsely-activated model. Despite several successful applications of MoE, its training efficiency degrades significantly as the number of experts increases. The routing stage in MoE relies on the efficiency of the All2All communication collective, which suffers from network congestion and has poor scalability. To mitigate these issues, we introduce SMILE, which exploits heterogeneous network bandwidth and splits a single-step routing into bi-level routing. Our experimental results show that the proposed method obtains a 2.5x speedup over Switch Transformer in terms of pretraining throughput on the Colossal Clean Crawled Corpus without losing any convergence speed.

In model extraction attacks, adversaries can steal a machine learning model exposed via a public API by repeatedly querying it and adjusting their own model based on obtained predictions. To prevent model stealing, existing defenses focus on detecting malicious queries, truncating, or distorting outputs, thus necessarily introducing a tradeoff between robustness and model utility for legitimate users. Instead, we propose to impede model extraction by requiring users to complete a proof-of-work before they can read the model's predictions. This deters attackers by greatly increasing (even up to 100x) the computational effort needed to leverage query access for model extraction. Since we calibrate the effort required to complete the proof-of-work to each query, this only introduces a slight overhead for regular users (up to 2x). To achieve this, our calibration applies tools from differential privacy to measure the information revealed by a query. Our method requires no modification of the victim model and can be applied by machine learning practitioners to guard their publicly exposed models against being easily stolen.

Many sequential decision making problems, including pool-based active learning and adaptive viral marketing, can be formulated as an adaptive submodular maximization problem. Most of existing studies on adaptive submodular optimization focus on either monotone case or non-monotone case. Specifically, if the utility function is monotone and adaptive submodular, \cite{golovin2011adaptive} developed a greedy policy that achieves a $(1-1/e)$ approximation ratio subject to a cardinality constraint. If the utility function is non-monotone and adaptive submodular, \cite{tang2021beyond} showed that a random greedy policy achieves a $1/e$ approximation ratio subject to a cardinality constraint. In this work, we aim to generalize the above mentioned results by studying the partial-monotone adaptive submodular maximization problem. To this end, we introduce the notation of adaptive monotonicity ratio $m\in[0,1]$ to measure the degree of monotonicity of a function. Our main result is to show that a random greedy policy achieves an approximation ratio of $m(1-1/e)+(1-m)(1/e)$ if the utility function is $m$-adaptive monotone and adaptive submodular. Notably this result recovers the aforementioned $(1-1/e)$ and $1/e$ approximation ratios when $m = 0$ and $m = 1$, respectively. We further extend our results to consider a knapsack constraint. We show that a sampling-based policy achieves an approximation ratio of $(m+1)/10$ if the utility function is $m$-adaptive monotone and adaptive submodular. One important implication of our results is that even for a non-monotone utility function, we still can achieve an approximation ratio close to $(1-1/e)$ if this function is ``close'' to a monotone function. This leads to improved performance bounds for many machine learning applications whose utility functions are almost adaptive monotone.

We propose a model-data asymptotic-preserving neural network(MD-APNN) method to solve the nonlinear gray radiative transfer equations(GRTEs). The system is challenging to be simulated with both the traditional numerical schemes and the vanilla physics-informed neural networks(PINNs) due to the multiscale characteristics. Under the framework of PINNs, we employ a micro-macro decomposition technique to construct a new asymptotic-preserving(AP) loss function, which includes the residual of the governing equations in the micro-macro coupled form, the initial and boundary conditions with additional diffusion limit information, the conservation laws, and a few labeled data. A convergence analysis is performed for the proposed method, and a number of numerical examples are presented to illustrate the efficiency of MD-APNNs, and particularly, the importance of the AP property in the neural networks for the diffusion dominating problems. The numerical results indicate that MD-APNNs lead to a better performance than APNNs or pure data-driven networks in the simulation of the nonlinear non-stationary GRTEs.

Distributed Stein Variational Gradient Descent (DSVGD) is a non-parametric distributed learning framework for federated Bayesian learning, where multiple clients jointly train a machine learning model by communicating a number of non-random and interacting particles with the server. Since communication resources are limited, selecting the clients with most informative local learning updates can improve the model convergence and communication efficiency. In this paper, we propose two selection schemes for DSVGD based on Kernelized Stein Discrepancy (KSD) and Hilbert Inner Product (HIP). We derive the upper bound on the decrease of the global free energy per iteration for both schemes, which is then minimized to speed up the model convergence. We evaluate and compare our schemes with conventional schemes in terms of model accuracy, convergence speed, and stability using various learning tasks and datasets.

In the classical setting of self-selection, the goal is to learn $k$ models, simultaneously from observations $(x^{(i)}, y^{(i)})$ where $y^{(i)}$ is the output of one of $k$ underlying models on input $x^{(i)}$. In contrast to mixture models, where we observe the output of a randomly selected model, here the observed model depends on the outputs themselves, and is determined by some known selection criterion. For example, we might observe the highest output, the smallest output, or the median output of the $k$ models. In known-index self-selection, the identity of the observed model output is observable; in unknown-index self-selection, it is not. Self-selection has a long history in Econometrics and applications in various theoretical and applied fields, including treatment effect estimation, imitation learning, learning from strategically reported data, and learning from markets at disequilibrium. In this work, we present the first computationally and statistically efficient estimation algorithms for the most standard setting of this problem where the models are linear. In the known-index case, we require poly$(1/\varepsilon, k, d)$ sample and time complexity to estimate all model parameters to accuracy $\varepsilon$ in $d$ dimensions, and can accommodate quite general selection criteria. In the more challenging unknown-index case, even the identifiability of the linear models (from infinitely many samples) was not known. We show three results in this case for the commonly studied $\max$ self-selection criterion: (1) we show that the linear models are indeed identifiable, (2) for general $k$ we provide an algorithm with poly$(d) \exp(\text{poly}(k))$ sample and time complexity to estimate the regression parameters up to error $1/\text{poly}(k)$, and (3) for $k = 2$ we provide an algorithm for any error $\varepsilon$ and poly$(d, 1/\varepsilon)$ sample and time complexity.

Datacenter operators ensure fair and regular server maintenance by using automated processes to schedule maintenance jobs to complete within a strict time budget. Automating this scheduling problem is challenging because maintenance job duration varies based on both job type and hardware. While it is tempting to use prior machine learning techniques for predicting job duration, we find that the structure of the maintenance job scheduling problem creates a unique challenge. In particular, we show that prior machine learning methods that produce the lowest error predictions do not produce the best scheduling outcomes due to asymmetric costs. Specifically, underpredicting maintenance job duration has results in more servers being taken offline and longer server downtime than overpredicting maintenance job duration. The system cost of underprediction is much larger than that of overprediction. We present Acela, a machine learning system for predicting maintenance job duration, which uses quantile regression to bias duration predictions toward overprediction. We integrate Acela into a maintenance job scheduler and evaluate it on datasets from large-scale, production datacenters. Compared to machine learning based predictors from prior work, Acela reduces the number of servers that are taken offline by 1.87-4.28X, and reduces the server offline time by 1.40-2.80X.

Although a recent shift has been made in the field of predictive process monitoring to use models from the explainable artificial intelligence field, the evaluation still occurs mainly through performance-based metrics, thus not accounting for the actionability and implications of the explanations. In this paper, we define explainability through the interpretability of the explanations and the faithfulness of the explainability model in the field of process outcome prediction. The introduced properties are analysed along the event, case, and control flow perspective which are typical for a process-based analysis. This allows comparing inherently created explanations with post-hoc explanations. We benchmark seven classifiers on thirteen real-life events logs, and these cover a range of transparent and non-transparent machine learning and deep learning models, further complemented with explainability techniques. Next, this paper contributes a set of guidelines named X-MOP which allows selecting the appropriate model based on the event log specifications, by providing insight into how the varying preprocessing, model complexity and explainability techniques typical in process outcome prediction influence the explainability of the model.

Speech translation (ST) is the task of directly translating acoustic speech signals in a source language into text in a foreign language. ST task has been addressed, for a long time, using a pipeline approach with two modules : first an Automatic Speech Recognition (ASR) in the source language followed by a text-to-text Machine translation (MT). In the past few years, we have seen a paradigm shift towards the end-to-end approaches using sequence-to-sequence deep neural network models. This paper presents our efforts towards the development of the first Broadcast News end-to-end Arabic to English speech translation system. Starting from independent ASR and MT LDC releases, we were able to identify about 92 hours of Arabic audio recordings for which the manual transcription was also translated into English at the segment level. These data was used to train and compare pipeline and end-to-end speech translation systems under multiple scenarios including transfer learning and data augmentation techniques.

In this paper, we propose a control synthesis method for signal temporal logic (STL) specifications with neural networks (NNs). Most of the previous works consider training a controller for only a given STL specification. These approaches, however, require retraining the NN controller if a new specification arises and needs to be satisfied, which results in large consumption of memory and inefficient training. To tackle this problem, we propose to construct NN controllers by introducing encoder-decoder structured NNs with an attention mechanism. The encoder takes an STL formula as input and encodes it into an appropriate vector, and the decoder outputs control signals that will meet the given specification. As the encoder, we consider three NN structures: sequential, tree-structured, and graph-structured NNs. All the model parameters are trained in an end-to-end manner to maximize the expected robustness that is known to be a quantitative semantics of STL formulae. We compare the control performances attained by the above NN structures through a numerical experiment of the path planning problem, showing the efficacy of the proposed approach.

A reliable critic is central to on-policy actor-critic learning. But it becomes challenging to learn a reliable critic in a multi-agent sparse reward scenario due to two factors: 1) The joint action space grows exponentially with the number of agents 2) This, combined with the reward sparseness and environment noise, leads to large sample requirements for accurate learning. We show that regularising the critic with spectral normalization (SN) enables it to learn more robustly, even in multi-agent on-policy sparse reward scenarios. Our experiments show that the regularised critic is quickly able to learn from the sparse rewarding experience in the complex SMAC and RWARE domains. These findings highlight the importance of regularisation in the critic for stable learning.

Semantic segmentation is a high level computer vision task that assigns a label for each pixel of an image. It is challengeful to deal with extremely-imbalanced data in which the ratio of target ixels to background pixels is lower than 1:1000. Such severe input imbalance leads to output imbalance for poor model training. This paper considers three issues for extremely-imbalanced data: inspired by the region based loss, an implicit measure for the output imbalance is proposed, and an adaptive algorithm is designed for guiding the output imbalance hyperparameter selection; then it is generalized to distribution based loss for dealing with output imbalance; and finally a compound loss with our adaptive hyperparameter selection alogorithm can keep the consistency of training and inference for harmonizing the output imbalance. With four popular deep architectures on our private dataset with three input imbalance scales and three public datasets, extensive experiments demonstrate the ompetitive/promising performance of the proposed method.

Many real-world learning scenarios face the challenge of slow concept drift, where data distributions change gradually over time. In this setting, we pose the problem of learning temporally sensitive importance weights for training data, in order to optimize predictive accuracy. We propose a class of temporal reweighting functions that can capture multiple timescales of change in the data, as well as instance-specific characteristics. We formulate a bi-level optimization criterion, and an associated meta-learning algorithm, by which these weights can be learned. In particular, our formulation trains an auxiliary network to output weights as a function of training instances, thereby compactly representing the instance weights. We validate our temporal reweighting scheme on a large real-world dataset of 39M images spread over a 9 year period. Our extensive experiments demonstrate the necessity of instance-based temporal reweighting in the dataset, and achieve significant improvements to classical batch-learning approaches. Further, our proposal easily generalizes to a streaming setting and shows significant gains compared to recent continual learning methods.

Spectral risk objectives - also called $L$-risks - allow for learning systems to interpolate between optimizing average-case performance (as in empirical risk minimization) and worst-case performance on a task. We develop stochastic algorithms to optimize these quantities by characterizing their subdifferential and addressing challenges such as biasedness of subgradient estimates and non-smoothness of the objective. We show theoretically and experimentally that out-of-the-box approaches such as stochastic subgradient and dual averaging are hindered by bias and that our approach outperforms them.

Unsupervised domain adaptation (UDA) aims to transfer knowledge from a well-labeled source domain to a different but related unlabeled target domain with identical label space. Currently, the main workhorse for solving UDA is domain alignment, which has proven successful. However, it is often difficult to find an appropriate source domain with identical label space. A more practical scenario is so-called partial domain adaptation (PDA) in which the source label set or space subsumes the target one. Unfortunately, in PDA, due to the existence of the irrelevant categories in the source domain, it is quite hard to obtain a perfect alignment, thus resulting in mode collapse and negative transfer. Although several efforts have been made by down-weighting the irrelevant source categories, the strategies used tend to be burdensome and risky since exactly which irrelevant categories are unknown. These challenges motivate us to find a relatively simpler alternative to solve PDA. To achieve this, we first provide a thorough theoretical analysis, which illustrates that the target risk is bounded by both model smoothness and between-domain discrepancy. Considering the difficulty of perfect alignment in solving PDA, we turn to focus on the model smoothness while discard the riskier domain alignment to enhance the adaptability of the model. Specifically, we instantiate the model smoothness as a quite simple intra-domain structure preserving (IDSP). To our best knowledge, this is the first naive attempt to address the PDA without domain alignment. Finally, our empirical results on multiple benchmark datasets demonstrate that IDSP is not only superior to the PDA SOTAs by a significant margin on some benchmarks (e.g., +10% on Cl->Rw and +8% on Ar->Rw ), but also complementary to domain alignment in the standard UDA

The application of natural language processing (NLP) to cancer pathology reports has been focused on detecting cancer cases, largely ignoring precancerous cases. Improving the characterization of precancerous adenomas assists in developing diagnostic tests for early cancer detection and prevention, especially for colorectal cancer (CRC). Here we developed transformer-based deep neural network NLP models to perform the CRC phenotyping, with the goal of extracting precancerous lesion attributes and distinguishing cancer and precancerous cases. We achieved 0.914 macro-F1 scores for classifying patients into negative, non-advanced adenoma, advanced adenoma and CRC. We further improved the performance to 0.923 using an ensemble of classifiers for cancer status classification and lesion size named entity recognition (NER). Our results demonstrated the potential of using NLP to leverage real-world health record data to facilitate the development of diagnostic tests for early cancer prevention.

Randomly masking and predicting word tokens has been a successful approach in pre-training language models for a variety of downstream tasks. In this work, we observe that the same idea also applies naturally to sequential decision making, where many well-studied tasks like behavior cloning, offline RL, inverse dynamics, and waypoint conditioning correspond to different sequence maskings over a sequence of states, actions, and returns. We introduce the FlexiBiT framework, which provides a unified way to specify models which can be trained on many different sequential decision making tasks. We show that a single FlexiBiT model is simultaneously capable of carrying out many tasks with performance similar to or better than specialized models. Additionally, we show that performance can be further improved by fine-tuning our general model on specific tasks of interest.

Masked Language Modeling (MLM) has proven to be an essential component of Vision-Language (VL) pretraining. To implement MLM, the researcher must make two design choices: the masking strategy, which determines which tokens to mask, and the masking rate, which determines how many tokens to mask. Previous work has focused primarily on the masking strategy while setting the masking rate at a default of 15\%. In this paper, we show that increasing this masking rate improves downstream performance while simultaneously reducing performance gap among different masking strategies, rendering the uniform masking strategy competitive to other more complex ones. Surprisingly, we also discover that increasing the masking rate leads to gains in Image-Text Matching (ITM) tasks, suggesting that the role of MLM goes beyond language modeling in VL pretraining.

Poor sample efficiency continues to be the primary challenge for deployment of deep Reinforcement Learning (RL) algorithms for real-world applications, and in particular for visuo-motor control. Model-based RL has the potential to be highly sample efficient by concurrently learning a world model and using synthetic rollouts for planning and policy improvement. However, in practice, sample-efficient learning with model-based RL is bottlenecked by the exploration challenge. In this work, we find that leveraging just a handful of demonstrations can dramatically improve the sample-efficiency of model-based RL. Simply appending demonstrations to the interaction dataset, however, does not suffice. We identify key ingredients for leveraging demonstrations in model learning -- policy pretraining, targeted exploration, and oversampling of demonstration data -- which forms the three phases of our model-based RL framework. We empirically study three complex visuo-motor control domains and find that our method is 150%-250% more successful in completing sparse reward tasks compared to prior approaches in the low data regime (100K interaction steps, 5 demonstrations). Code and videos are available at: https://nicklashansen.github.io/modemrl

In deep neural learning, a discriminator trained on in-distribution (ID) samples may make high-confidence predictions on out-of-distribution (OOD) samples. This triggers a significant matter for robust, trustworthy and safe deep learning. The issue is primarily caused by the limited ID samples observable in training the discriminator when OOD samples are unavailable. We propose a general approach for \textit{fine-tuning discriminators by implicit generators} (FIG). FIG is grounded on information theory and applicable to standard discriminators without retraining. It improves the ability of a standard discriminator in distinguishing ID and OOD samples by generating and penalizing its specific OOD samples. According to the Shannon entropy, an energy-based implicit generator is inferred from a discriminator without extra training costs. Then, a Langevin dynamic sampler draws specific OOD samples for the implicit generator. Lastly, we design a regularizer fitting the design principle of the implicit generator to induce high entropy on those generated OOD samples. The experiments on different networks and datasets demonstrate that FIG achieves the state-of-the-art OOD detection performance.

Estimating information-theoretic quantities such as entropy and mutual information is central to many problems in statistics and machine learning, but challenging in high dimensions. This paper presents estimators of entropy via inference (EEVI), which deliver upper and lower bounds on many information quantities for arbitrary variables in a probabilistic generative model. These estimators use importance sampling with proposal distribution families that include amortized variational inference and sequential Monte Carlo, which can be tailored to the target model and used to squeeze true information values with high accuracy. We present several theoretical properties of EEVI and demonstrate scalability and efficacy on two problems from the medical domain: (i) in an expert system for diagnosing liver disorders, we rank medical tests according to how informative they are about latent diseases, given a pattern of observed symptoms and patient attributes; and (ii) in a differential equation model of carbohydrate metabolism, we find optimal times to take blood glucose measurements that maximize information about a diabetic patient's insulin sensitivity, given their meal and medication schedule.

Self-attentive transformer models have recently been shown to solve the next item recommendation task very efficiently. The learned attention weights capture sequential dynamics in user behavior and generalize well. Motivated by the special structure of learned parameter space, we question if it is possible to mimic it with an alternative and more lightweight approach. We develop a new tensor factorization-based model that ingrains the structural knowledge about sequential data within the learning process. We demonstrate how certain properties of a self-attention network can be reproduced with our approach based on special Hankel matrix representation. The resulting model has a shallow linear architecture and compares competitively to its neural counterpart.

Graph Neural Networks(GNNs) are a family of neural models tailored for graph-structure data and have shown superior performance in learning representations for graph-structured data. However, training GNNs on large graphs remains challenging and a promising direction is distributed GNN training, which is to partition the input graph and distribute the workload across multiple machines. The key bottleneck of the existing distributed GNNs training framework is the across-machine communication induced by the dependency on the graph data and aggregation operator of GNNs. In this paper, we study the communication complexity during distributed GNNs training and propose a simple lossless communication reduction method, termed the Aggregation before Communication (ABC) method. ABC method exploits the permutation-invariant property of the GNNs layer and leads to a paradigm where vertex-cut is proved to admit a superior communication performance than the currently popular paradigm (edge-cut). In addition, we show that the new partition paradigm is particularly ideal in the case of dynamic graphs where it is infeasible to control the edge placement due to the unknown stochastic of the graph-changing process.

A machine learning (ML) system must learn not only to match the output of a target function on a training set, but also to generalize to novel situations in order to yield accurate predictions at deployment. In most practical applications, the user cannot exhaustively enumerate every possible input to the model; strong generalization performance is therefore crucial to the development of ML systems which are performant and reliable enough to be deployed in the real world. While generalization is well-understood theoretically in a number of hypothesis classes, the impressive generalization performance of deep neural networks has stymied theoreticians. In deep reinforcement learning (RL), our understanding of generalization is further complicated by the conflict between generalization and stability in widely-used RL algorithms. This thesis will provide insight into generalization by studying the learning dynamics of deep neural networks in both supervised and reinforcement learning tasks.

Recurrent neural networks are capable of learning the dynamics of an unknown nonlinear system purely from input-output measurements. However, the resulting models do not provide any stability guarantees on the input-output mapping. In this work, we represent a recurrent neural network as a linear time-invariant system with nonlinear disturbances. By introducing constraints on the parameters, we can guarantee finite gain stability and incremental finite gain stability. We apply this identification method to learn the motion of a four-degrees-of-freedom ship that is moving in open water and compare it against other purely learning-based approaches with unconstrained parameters. Our analysis shows that the constrained recurrent neural network has a lower prediction accuracy on the test set, but it achieves comparable results on an out-of-distribution set and respects stability conditions.

Energy management systems (EMS) are becoming increasingly important in order to utilize the continuously growing curtailed renewable energy. Promising energy storage systems (ESS), such as batteries and green hydrogen should be employed to maximize the efficiency of energy stakeholders. However, optimal decision-making, i.e., planning the leveraging between different strategies, is confronted with the complexity and uncertainties of large-scale problems. Here, we propose a sophisticated deep reinforcement learning (DRL) methodology with a policy-based algorithm to realize the real-time optimal ESS planning under the curtailed renewable energy uncertainty. A quantitative performance comparison proved that the DRL agent outperforms the scenario-based stochastic optimization (SO) algorithm, even with a wide action and observation space. Owing to the uncertainty rejection capability of the DRL, we could confirm a robust performance, under a large uncertainty of the curtailed renewable energy, with a maximizing net profit and stable system. Action-mapping was performed for visually assessing the action taken by the DRL agent according to the state. The corresponding results confirmed that the DRL agent learns the way like what a human expert would do, suggesting reliable application of the proposed methodology.

Cardinality estimation is one of the most fundamental and challenging problems in query optimization. Neither classical nor learning-based methods yield satisfactory performance when estimating the cardinality of the join queries. They either rely on simplified assumptions leading to ineffective cardinality estimates or build large models to understand the data distributions, leading to long planning times and a lack of generalizability across queries. In this paper, we propose a new framework FactorJoin for estimating join queries. FactorJoin combines the idea behind the classical join-histogram method to efficiently handle joins with the learning-based methods to accurately capture attribute correlation. Specifically, FactorJoin scans every table in a DB and builds single-table conditional distributions during an offline preparation phase. When a join query comes, FactorJoin translates it into a factor graph model over the learned distributions to effectively and efficiently estimate its cardinality. Unlike existing learning-based methods, FactorJoin does not need to de-normalize joins upfront or require executed query workloads to train the model. Since it only relies on single-table statistics, FactorJoin has small space overhead and is extremely easy to train and maintain. In our evaluation, FactorJoin can produce more effective estimates than the previous state-of-the-art learning-based methods, with 40x less estimation latency, 100x smaller model size, and 100x faster training speed at comparable or better accuracy. In addition, FactorJoin can estimate 10,000 sub-plan queries within one second to optimize the query plan, which is very close to the traditional cardinality estimators in commercial DBMS.

At eBay, there are thousands of product health metrics for different domain teams to monitor. We built a two-phase alerting system to notify users with actionable alerts based on anomaly detection and alert retrieval. In the first phase, we developed an efficient anomaly detection algorithm, called Moving Metric Detector (MMD), to identify potential alerts among metrics with distribution agnostic criteria. In the second alert retrieval phase, we built additional logic with feedbacks to select valid actionable alerts with point-wise ranking model and business rules. Compared with other trend and seasonality decomposition methods, our decomposer is faster and better to detect anomalies in unsupervised cases. Our two-phase approach dramatically improves alert precision and avoids alert spamming in eBay production.

We generalize the classical universal approximation theorem for neural networks to the case of complex-valued neural networks. Precisely, we consider feedforward networks with a complex activation function $\sigma : \mathbb{C} \to \mathbb{C}$ in which each neuron performs the operation $\mathbb{C}^N \to \mathbb{C}, z \mapsto \sigma(b + w^T z)$ with weights $w \in \mathbb{C}^N$ and a bias $b \in \mathbb{C}$, and with $\sigma$ applied componentwise. We completely characterize those activation functions $\sigma$ for which the associated complex networks have the universal approximation property, meaning that they can uniformly approximate any continuous function on any compact subset of $\mathbb{C}^d$ arbitrarily well. Unlike the classical case of real networks, the set of "good activation functions" which give rise to networks with the universal approximation property differs significantly depending on whether one considers deep networks or shallow networks: For deep networks with at least two hidden layers, the universal approximation property holds as long as $\sigma$ is neither a polynomial, a holomorphic function, or an antiholomorphic function. Shallow networks, on the other hand, are universal if and only if the real part or the imaginary part of $\sigma$ is not a polyharmonic function.

Machine learning models are known to be susceptible to adversarial perturbation. One famous attack is the adversarial patch, a sticker with a particularly crafted pattern that makes the model incorrectly predict the object it is placed on. This attack presents a critical threat to cyber-physical systems that rely on cameras such as autonomous cars. Despite the significance of the problem, conducting research in this setting has been difficult; evaluating attacks and defenses in the real world is exceptionally costly while synthetic data are unrealistic. In this work, we propose the REAP (REalistic Adversarial Patch) benchmark, a digital benchmark that allows the user to evaluate patch attacks on real images, and under real-world conditions. Built on top of the Mapillary Vistas dataset, our benchmark contains over 14,000 traffic signs. Each sign is augmented with a pair of geometric and lighting transformations, which can be used to apply a digitally generated patch realistically onto the sign. Using our benchmark, we perform the first large-scale assessments of adversarial patch attacks under realistic conditions. Our experiments suggest that adversarial patch attacks may present a smaller threat than previously believed and that the success rate of an attack on simpler digital simulations is not predictive of its actual effectiveness in practice. We release our benchmark publicly at https://github.com/wagner-group/reap-benchmark.

Anomaly analytics is a popular and vital task in various research contexts, which has been studied for several decades. At the same time, deep learning has shown its capacity in solving many graph-based tasks like, node classification, link prediction, and graph classification. Recently, many studies are extending graph learning models for solving anomaly analytics problems, resulting in beneficial advances in graph-based anomaly analytics techniques. In this survey, we provide a comprehensive overview of graph learning methods for anomaly analytics tasks. We classify them into four categories based on their model architectures, namely graph convolutional network (GCN), graph attention network (GAT), graph autoencoder (GAE), and other graph learning models. The differences between these methods are also compared in a systematic manner. Furthermore, we outline several graph-based anomaly analytics applications across various domains in the real world. Finally, we discuss five potential future research directions in this rapidly growing field.

Reinforcement Learning (RL) can enable agents to learn complex tasks. However, it is difficult to interpret the knowledge and reuse it across tasks. Inductive biases can address such issues by explicitly providing generic yet useful decomposition that is otherwise difficult or expensive to learn implicitly. For example, object-centered approaches decompose a high dimensional observation into individual objects. Expanding on this, we utilize an inductive bias for explicit object-centered knowledge separation that provides further decomposition into semantic representations and dynamics knowledge. For this, we introduce a semantic module that predicts an objects' semantic state based on its context. The resulting affordance-like object state can then be used to enrich perceptual object representations. With a minimal setup and an environment that enables puzzle-like tasks, we demonstrate the feasibility and benefits of this approach. Specifically, we compare three different methods of integrating semantic representations into a model-based RL architecture. Our experiments show that the degree of explicitness in knowledge separation correlates with faster learning, better accuracy, better generalization, and better interpretability.

We introduce OPEND, a benchmark for learning how to use a hand to open cabinet doors or drawers in a photo-realistic and physics-reliable simulation environment driven by language instruction. To solve the task, we propose a multi-step planner composed of a deep neural network and rule-base controllers. The network is utilized to capture spatial relationships from images and understand semantic meaning from language instructions. Controllers efficiently execute the plan based on the spatial and semantic understanding. We evaluate our system by measuring its zero-shot performance in test data set. Experimental results demonstrate the effectiveness of decision planning by our multi-step planner for different hands, while suggesting that there is significant room for developing better models to address the challenge brought by language understanding, spatial reasoning, and long-term manipulation. We will release OPEND and host challenges to promote future research in this area.

Curated knowledge graphs encode domain expertise and improve the performance of recommendation, segmentation, ad targeting, and other machine learning systems in several domains. As new concepts emerge in a domain, knowledge graphs must be expanded to preserve machine learning performance. Manually expanding knowledge graphs, however, is infeasible at scale. In this work, we propose a method for knowledge graph expansion with humans-in-the-loop. Concretely, given a knowledge graph, our method predicts the "parents" of new concepts to be added to this graph for further verification by human experts. We show that our method is both accurate and provably "human-friendly". Specifically, we prove that our method predicts parents that are "near" concepts' true parents in the knowledge graph, even when the predictions are incorrect. We then show, with a controlled experiment, that satisfying this property increases both the speed and the accuracy of the human-algorithm collaboration. We further evaluate our method on a knowledge graph from Pinterest and show that it outperforms competing methods on both accuracy and human-friendliness. Upon deployment in production at Pinterest, our method reduced the time needed for knowledge graph expansion by ~400% (compared to manual expansion), and contributed to a subsequent increase in ad revenue of 20%.

Reverse engineers benefit from the presence of identifiers such as function names in a binary, but usually these are removed for release. Training a machine learning model to predict function names automatically is promising but fundamentally hard: unlike words in natural language, most function names occur only once. In this paper, we address this problem by introducing eXtreme Function Labeling (XFL), an extreme multi-label learning approach to selecting appropriate labels for binary functions. XFL splits function names into tokens, treating each as an informative label akin to the problem of tagging texts in natural language. We relate the semantics of binary code to labels through DEXTER, a novel function embedding that combines static analysis-based features with local context from the call graph and global context from the entire binary. We demonstrate that XFL/DEXTER outperforms the state of the art in function labeling on a dataset of 10,047 binaries from the Debian project, achieving a precision of 83.5%. We also study combinations of XFL with alternative binary embeddings from the literature and show that DEXTER consistently performs best for this task. As a result, we demonstrate that binary function labeling can be effectively phrased in terms of multi-label learning, and that binary function embeddings benefit from including explicit semantic features.

Polypharmacy, most often defined as the simultaneous consumption of five or more drugs at once, is a prevalent phenomenon in the older population. Some of these polypharmacies, deemed inappropriate, may be associated with adverse health outcomes such as death or hospitalization. Considering the combinatorial nature of the problem as well as the size of claims database and the cost to compute an exact association measure for a given drug combination, it is impossible to investigate every possible combination of drugs. Therefore, we propose to optimize the search for potentially inappropriate polypharmacies (PIPs). To this end, we propose the OptimNeuralTS strategy, based on Neural Thompson Sampling and differential evolution, to efficiently mine claims datasets and build a predictive model of the association between drug combinations and health outcomes. We benchmark our method using two datasets generated by an internally developed simulator of polypharmacy data containing 500 drugs and 100 000 distinct combinations. Empirically, our method can detect up to 33\% of PIPs while maintaining an average precision score of 99\% using 10 000 time steps.

We investigate algorithmic progress in image classification on ImageNet, perhaps the most well-known test bed for computer vision. We estimate a model, informed by work on neural scaling laws, and infer a decomposition of progress into the scaling of compute, data, and algorithms. Using Shapley values to attribute performance improvements, we find that algorithmic improvements have been roughly as important as the scaling of compute for progress computer vision. Our estimates indicate that algorithmic innovations mostly take the form of compute-augmenting algorithmic advances (which enable researchers to get better performance from less compute), not data-augmenting algorithmic advances. We find that compute-augmenting algorithmic advances are made at a pace more than twice as fast as the rate usually associated with Moore's law. In particular, we estimate that compute-augmenting innovations halve compute requirements every nine months (95\% confidence interval: 4 to 25 months).

In split machine learning (ML), different partitions of a neural network (NN) are executed by different computing nodes, requiring a large amount of communication cost. To ease communication burden, over-the-air computation (OAC) can efficiently implement all or part of the computation at the same time of communication. Based on the proposed system, the system implementation over wireless network is introduced and we provide the problem formulation. In particular, we show that the inter-layer connection in a NN of any size can be mathematically decomposed into a set of linear precoding and combining transformations over MIMO channels. Therefore, the precoding matrix at the transmitter and the combining matrix at the receiver of each MIMO link, as well as the channel matrix itself, can jointly serve as a fully connected layer of the NN. The generalization of the proposed scheme to the conventional NNs is also introduced. Finally, we extend the proposed scheme to the widely used convolutional neural networks and demonstrate its effectiveness under both the static and quasi-static memory channel conditions with comprehensive simulations. In such a split ML system, the precoding and combining matrices are regarded as trainable parameters, while MIMO channel matrix is regarded as unknown (implicit) parameters.

We present a novel approach to improve the performance of learning-based speech dereverberation using accurate synthetic datasets. Our approach is designed to recover the reverb-free signal from a reverberant speech signal. We show that accurately simulating the low-frequency components of Room Impulse Responses (RIRs) is important to achieving good dereverberation. We use the GWA dataset that consists of synthetic RIRs generated in a hybrid fashion: an accurate wave-based solver is used to simulate the lower frequencies and geometric ray tracing methods simulate the higher frequencies. We demonstrate that speech dereverberation models trained on hybrid synthetic RIRs outperform models trained on RIRs generated by prior geometric ray tracing methods on four real-world RIR datasets.

Continuous-time Markov chains are used to model stochastic systems where transitions can occur at irregular times, e.g., birth-death processes, chemical reaction networks, population dynamics, and gene regulatory networks. We develop a method to learn a continuous-time Markov chain's transition rate functions from fully observed time series. In contrast with existing methods, our method allows for transition rates to depend nonlinearly on both state variables and external covariates. The Gillespie algorithm is used to generate trajectories of stochastic systems where propensity functions (reaction rates) are known. Our method can be viewed as the inverse: given trajectories of a stochastic reaction network, we generate estimates of the propensity functions. While previous methods used linear or log-linear methods to link transition rates to covariates, we use neural networks, increasing the capacity and potential accuracy of learned models. In the chemical context, this enables the method to learn propensity functions from non-mass-action kinetics. We test our method with synthetic data generated from a variety of systems with known transition rates. We show that our method learns these transition rates with considerably more accuracy than log-linear methods, in terms of mean absolute error between ground truth and predicted transition rates. We also demonstrate an application of our methods to open-loop control of a continuous-time Markov chain.  ( 2 min )

In this paper, we propose a novel graph kernel, namely the Quantum-based Entropic Subtree Kernel (QESK), for Graph Classification. To this end, we commence by computing the Average Mixing Matrix (AMM) of the Continuous-time Quantum Walk (CTQW) evolved on each graph structure. Moreover, we show how this AMM matrix can be employed to compute a series of entropic subtree representations associated with the classical Weisfeiler-Lehman (WL) algorithm. For a pair of graphs, the QESK kernel is defined by computing the exponentiation of the negative Euclidean distance between their entropic subtree representations, theoretically resulting in a positive definite graph kernel. We show that the proposed QESK kernel not only encapsulates complicated intrinsic quantum-based structural characteristics of graph structures through the CTQW, but also theoretically addresses the shortcoming of ignoring the effects of unshared substructures arising in state-of-the-art R-convolution graph kernels. Moreover, unlike the classical R-convolution kernels, the proposed QESK can discriminate the distinctions of isomorphic subtrees in terms of the global graph structures, theoretically explaining the effectiveness. Experiments indicate that the proposed QESK kernel can significantly outperform state-of-the-art graph kernels and graph deep learning methods for graph classification problems.  ( 2 min )

Single-cell sequencing assay for transposase-accessible chromatin (scATAC-seq) assesses genome-wide chromatin accessibility in thousands of cells to reveal regulatory landscapes in high resolutions. However, the analysis presents challenges due to the high dimensionality and sparsity of the data. Several methods have been developed, including transformation techniques of term-frequency inverse-document frequency (TF-IDF), dimension reduction methods such as singular value decomposition (SVD), factor analysis, and autoencoders. Yet, a comprehensive study on the mentioned methods has not been fully performed. It is not clear what is the best practice when analyzing scATAC-seq data. We compared several scenarios for transformation and dimension reduction as well as the SVD-based feature analysis to investigate potential enhancements in scATAC-seq information retrieval. Additionally, we investigate if autoencoders benefit from the TF-IDF transformation. Our results reveal that the TF-IDF transformation generally leads to improved clustering and biologically relevant feature extraction.  ( 2 min )

Deep Reinforcement Learning (RL) agents are susceptible to adversarial noise in their observations that can mislead their policies and decrease their performance. However, an adversary may be interested not only in decreasing the reward, but also in modifying specific temporal logic properties of the policy. This paper presents a metric that measures the exact impact of adversarial attacks against such properties. We use this metric to craft optimal adversarial attacks. Furthermore, we introduce a model checking method that allows us to verify the robustness of RL policies against adversarial attacks. Our empirical analysis confirms (1) the quality of our metric to craft adversarial attacks against temporal logic properties, and (2) that we are able to concisely assess a system's robustness against attacks.  ( 2 min )

We identify the task of measuring data to quantitatively characterize the composition of machine learning data and datasets. Similar to an object's height, width, and volume, data measurements quantify different attributes of data along common dimensions that support comparison. Several lines of research have proposed what we refer to as measurements, with differing terminology; we bring some of this work together, particularly in fields of computer vision and language, and build from it to motivate measuring data as a critical component of responsible AI development. Measuring data aids in systematically building and analyzing machine learning (ML) data towards specific goals and gaining better control of what modern ML systems will learn. We conclude with a discussion of the many avenues of future work, the limitations of data measurements, and how to leverage these measurement approaches in research and practice.  ( 2 min )

Restless multi-armed bandits are often used to model budget-constrained resource allocation tasks where receipt of the resource is associated with an increased probability of a favorable state transition. Prior work assumes that individual arms only benefit if they receive the resource directly. However, many allocation tasks occur within communities and can be characterized by positive externalities that allow arms to derive partial benefit when their neighbor(s) receive the resource. We thus introduce networked restless bandits, a novel multi-armed bandit setting in which arms are both restless and embedded within a directed graph. We then present Greta, a graph-aware, Whittle index-based heuristic algorithm that can be used to efficiently construct a constrained reward-maximizing action vector at each timestep. Our empirical results demonstrate that Greta outperforms comparison policies across a range of hyperparameter values and graph topologies.  ( 2 min )

Developing robots that are capable of many skills and generalization to unseen scenarios requires progress on two fronts: efficient collection of large and diverse datasets, and training of high-capacity policies on the collected data. While large datasets have propelled progress in other fields like computer vision and natural language processing, collecting data of comparable scale is particularly challenging for physical systems like robotics. In this work, we propose a framework to bridge this gap and better scale up robot learning, under the lens of multi-task, multi-scene robot manipulation in kitchen environments. Our framework, named CACTI, has four stages that separately handle data collection, data augmentation, visual representation learning, and imitation policy training. In the CACTI framework, we highlight the benefit of adapting state-of-the-art models for image generation as part of the augmentation stage, and the significant improvement of training efficiency by using pretrained out-of-domain visual representations at the compression stage. Experimentally, we demonstrate that 1) on a real robot setup, CACTI enables efficient training of a single policy capable of 10 manipulation tasks involving kitchen objects, and robust to varying layouts of distractor objects; 2) in a simulated kitchen environment, CACTI trains a single policy on 18 semantic tasks across up to 50 layout variations per task. The simulation task benchmark and augmented datasets in both real and simulated environments will be released to facilitate future research.  ( 2 min )

Sparse matrix representations are ubiquitous in computational science and machine learning, leading to significant reductions in compute time, in comparison to dense representation, for problems that have local connectivity. The adoption of sparse representation in leading ML frameworks such as PyTorch is incomplete, however, with support for both automatic differentiation and GPU acceleration missing. In this work, we present an implementation of a CSR-based sparse matrix wrapper for PyTorch with CUDA acceleration for basic matrix operations, as well as automatic differentiability. We also present several applications of the resulting sparse kernels to optimization problems, demonstrating ease of implementation and performance measurements versus their dense counterparts.  ( 2 min )

Microfinance, despite its significant potential for poverty reduction, is facing sustainability hardships due to high default rates. Although many methods in regular finance can estimate credit scores and default probabilities, these methods are not directly applicable to microfinance due to the following unique characteristics: a) under-explored (developing) areas such as rural Africa do not have sufficient prior loan data for microfinance institutions (MFIs) to establish a credit scoring system; b) microfinance applicants may have difficulty providing sufficient information for MFIs to accurately predict default probabilities; and c) many MFIs use group liability (instead of collateral) to secure repayment. Here, we present a novel control-theoretic model of microfinance that accounts for these characteristics. We construct an algorithm to learn microfinance decision policies that achieve financial inclusion, fairness, social welfare, and sustainability. We characterize the convergence conditions to Pareto-optimum and the convergence speeds. We demonstrate, in numerous real and synthetic datasets, that the proposed method accounts for the complexities induced by group liability to produce robust decisions before sufficient loans are given to establish credit scoring systems and for applicants whose default probability cannot be accurately estimated due to missing information. To the best of our knowledge, this paper is the first to connect microfinance and control theory. We envision that the connection will enable safe learning and control techniques to help modernize microfinance and alleviate poverty.  ( 2 min )

Nesterov's accelerated gradient descent (NAG) is one of the milestones in the history of first-order algorithms. It was not successfully uncovered until the high-resolution differential equation framework was proposed in [Shi et al., 2022] that the mechanism behind the acceleration phenomenon is due to the gradient correction term. To deepen our understanding of the high-resolution differential equation framework on the convergence rate, we continue to investigate NAG for the $\mu$-strongly convex function based on the techniques of Lyapunov analysis and phase-space representation in this paper. First, we revisit the proof from the gradient-correction scheme. Similar to [Chen et al., 2022], the straightforward calculation simplifies the proof extremely and enlarges the step size to $s=1/L$ with minor modification. Meanwhile, the way of constructing Lyapunov functions is principled. Furthermore, we also investigate NAG from the implicit-velocity scheme. Due to the difference in the velocity iterates, we find that the Lyapunov function is constructed from the implicit-velocity scheme without the additional term and the calculation of iterative difference becomes simpler. Together with the optimal step size obtained, the high-resolution differential equation framework from the implicit-velocity scheme of NAG is perfect and outperforms the gradient-correction scheme.  ( 2 min )

We revisit the domain of off-policy policy optimization in RL from the perspective of coordinate ascent. One commonly-used approach is to leverage the off-policy policy gradient to optimize a surrogate objective -- the total discounted in expectation return of the target policy with respect to the state distribution of the behavior policy. However, this approach has been shown to suffer from the distribution mismatch issue, and therefore significant efforts are needed for correcting this mismatch either via state distribution correction or a counterfactual method. In this paper, we rethink off-policy learning via Coordinate Ascent Policy Optimization (CAPO), an off-policy actor-critic algorithm that decouples policy improvement from the state distribution of the behavior policy without using the policy gradient. This design obviates the need for distribution correction or importance sampling in the policy improvement step of off-policy policy gradient. We establish the global convergence of CAPO with general coordinate selection and then further quantify the convergence rates of several instances of CAPO with popular coordinate selection rules, including the cyclic and the randomized variants of CAPO. We then extend CAPO to neural policies for a more practical implementation. Through experiments, we demonstrate that CAPO provides a competitive approach to RL in practice.  ( 2 min )

Recurrent neural networks are a widely used class of neural architectures. They have, however, two shortcomings. First, they are often treated as black-box models and as such it is difficult to understand what exactly they learn as well as how they arrive at a particular prediction. Second, they tend to work poorly on sequences requiring long-term memorization, despite having this capacity in principle. We aim to address both shortcomings with a class of recurrent networks that use a stochastic state transition mechanism between cell applications. This mechanism, which we term state-regularization, makes RNNs transition between a finite set of learnable states. We evaluate state-regularized RNNs on (1) regular languages for the purpose of automata extraction; (2) non-regular languages such as balanced parentheses and palindromes where external memory is required; and (3) real-word sequence learning tasks for sentiment analysis, visual object recognition and text categorisation. We show that state-regularization (a) simplifies the extraction of finite state automata that display an RNN's state transition dynamic; (b) forces RNNs to operate more like automata with external memory and less like finite state machines, which potentiality leads to a more structural memory; (c) leads to better interpretability and explainability of RNNs by leveraging the probabilistic finite state transition mechanism over time steps.  ( 2 min )

A significant drawback of eXplainable Artificial Intelligence (XAI) approaches is the assumption of feature independence. This paper focuses on integrating causal knowledge in XAI methods to increase trust and help users assess explanations' quality. We propose a novel extension to a widely used local and model-agnostic explainer that explicitly encodes causal relationships in the data generated around the input instance to explain. Extensive experiments show that our method achieves superior performance comparing the initial one for both the fidelity in mimicking the black-box and the stability of the explanations.  ( 2 min )

Accurate spatial-temporal traffic flow forecasting is essential for helping traffic managers to take control measures and drivers to choose the optimal travel routes. Recently, graph convolutional networks (GCNs) have been widely used in traffic flow prediction owing to their powerful ability to capture spatial-temporal dependencies. The design of the spatial-temporal graph adjacency matrix is a key to the success of GCNs, and it is still an open question. This paper proposes reconstructing the binary adjacency matrix via tensor decomposition, and a traffic flow forecasting method is proposed. First, we reformulate the spatial-temporal fusion graph adjacency matrix into a three-way adjacency tensor. Then, we reconstructed the adjacency tensor via Tucker decomposition, wherein more informative and global spatial-temporal dependencies are encoded. Finally, a Spatial-temporal Synchronous Graph Convolutional module for localized spatial-temporal correlations learning and a Dilated Convolution module for global correlations learning are assembled to aggregate and learn the comprehensive spatial-temporal dependencies of the road network. Experimental results on four open-access datasets demonstrate that the proposed model outperforms state-of-the-art approaches in terms of the prediction performance and computational cost.  ( 2 min )

Multi-view data containing complementary and consensus information can facilitate representation learning by exploiting the intact integration of multi-view features. Because most objects in real world often have underlying connections, organizing multi-view data as heterogeneous graphs is beneficial to extracting latent information among different objects. Due to the powerful capability to gather information of neighborhood nodes, in this paper, we apply Graph Convolutional Network (GCN) to cope with heterogeneous-graph data originating from multi-view data, which is still under-explored in the field of GCN. In order to improve the quality of network topology and alleviate the interference of noises yielded by graph fusion, some methods undertake sorting operations before the graph convolution procedure. These GCN-based methods generally sort and select the most confident neighborhood nodes for each vertex, such as picking the top-k nodes according to pre-defined confidence values. Nonetheless, this is problematic due to the non-differentiable sorting operators and inflexible graph embedding learning, which may result in blocked gradient computations and undesired performance. To cope with these issues, we propose a joint framework dubbed Multi-view Graph Convolutional Network with Differentiable Node Selection (MGCN-DNS), which is constituted of an adaptive graph fusion layer, a graph learning module and a differentiable node selection schema. MGCN-DNS accepts multi-channel graph-structural data as inputs and aims to learn more robust graph fusion through a differentiable neural network. The effectiveness of the proposed method is verified by rigorous comparisons with considerable state-of-the-art approaches in terms of multi-view semi-supervised classification tasks.  ( 2 min )

During the deployment of deep neural networks (DNNs) on edge devices, many research efforts are devoted to the limited hardware resource. However, little attention is paid to the influence of dynamic power management. As edge devices typically only have a budget of energy with batteries (rather than almost unlimited energy support on servers or workstations), their dynamic power management often changes the execution frequency as in the widely-used dynamic voltage and frequency scaling (DVFS) technique. This leads to highly unstable inference speed performance, especially for computation-intensive DNN models, which can harm user experience and waste hardware resources. We firstly identify this problem and then propose All-in-One, a highly representative pruning framework to work with dynamic power management using DVFS. The framework can use only one set of model weights and soft masks (together with other auxiliary parameters of negligible storage) to represent multiple models of various pruning ratios. By re-configuring the model to the corresponding pruning ratio for a specific execution frequency (and voltage), we are able to achieve stable inference speed, i.e., keeping the difference in speed performance under various execution frequencies as small as possible. Our experiments demonstrate that our method not only achieves high accuracy for multiple models of different pruning ratios, but also reduces their variance of inference latency for various frequencies, with minimal memory consumption of only one model and one soft mask.  ( 2 min )

Despite significant advances, the performance of state-of-the-art continual learning approaches hinges on the unrealistic scenario of fully labeled data. In this paper, we tackle this challenge and propose an approach for continual semi-supervised learning -- a setting where not all the data samples are labeled. An underlying issue in this scenario is the model forgetting representations of unlabeled data and overfitting the labeled ones. We leverage the power of nearest-neighbor classifiers to non-linearly partition the feature space and learn a strong representation for the current task, as well as distill relevant information from previous tasks. We perform a thorough experimental evaluation and show that our method outperforms all the existing approaches by large margins, setting a strong state of the art on the continual semi-supervised learning paradigm. For example, on CIFAR100 we surpass several others even when using at least 30 times less supervision (0.8% vs. 25% of annotations).  ( 2 min )

Cloth in the real world is often crumpled, self-occluded, or folded in on itself such that key regions, such as corners, are not directly graspable, making manipulation difficult. We propose a system that leverages visual and tactile perception to unfold the cloth via grasping and sliding on edges. By doing so, the robot is able to grasp two adjacent corners, enabling subsequent manipulation tasks like folding or hanging. As components of this system, we develop tactile perception networks that classify whether an edge is grasped and estimate the pose of the edge. We use the edge classification network to supervise a visuotactile edge grasp affordance network that can grasp edges with a 90% success rate. Once an edge is grasped, we demonstrate that the robot can slide along the cloth to the adjacent corner using tactile pose estimation/control in real time. See this http URL for videos.  ( 2 min )

The findable, accessible, interoperable, and reusable (FAIR) data principles have provided a framework for examining, evaluating, and improving how we share data with the aim of facilitating scientific discovery. Efforts have been made to generalize these principles to research software and other digital products. Artificial intelligence (AI) models -- algorithms that have been trained on data rather than explicitly programmed -- are an important target for this because of the ever-increasing pace with which AI is transforming scientific and engineering domains. In this paper, we propose a practical definition of FAIR principles for AI models and create a FAIR AI project template that promotes adherence to these principles. We demonstrate how to implement these principles using a concrete example from experimental high energy physics: a graph neural network for identifying Higgs bosons decaying to bottom quarks. We study the robustness of these FAIR AI models and their portability across hardware architectures and software frameworks, and report new insights on the interpretability of AI predictions by studying the interplay between FAIR datasets and AI models. Enabled by publishing FAIR AI models, these studies pave the way toward reliable and automated AI-driven scientific discovery.  ( 2 min )

Nonconvex optimization is central in solving many machine learning problems, in which block-wise structure is commonly encountered. In this work, we propose cyclic block coordinate methods for nonconvex optimization problems with non-asymptotic gradient norm guarantees. Our convergence analysis is based on a gradient Lipschitz condition with respect to a Mahalanobis norm, inspired by a recent progress on cyclic block coordinate methods. In deterministic settings, our convergence guarantee matches the guarantee of (full-gradient) gradient descent, but with the gradient Lipschitz constant being defined w.r.t.~the Mahalanobis norm. In stochastic settings, we use recursive variance reduction to decrease the per-iteration cost and match the arithmetic operation complexity of current optimal stochastic full-gradient methods, with a unified analysis for both finite-sum and infinite-sum cases. We further prove the faster, linear convergence of our methods when a Polyak-{\L}ojasiewicz (P{\L}) condition holds for the objective function. To the best of our knowledge, our work is the first to provide variance-reduced convergence guarantees for a cyclic block coordinate method. Our experimental results demonstrate the efficacy of the proposed variance-reduced cyclic scheme in training deep neural nets.  ( 2 min )

Hi, everyone! Quick question, I am considering doing a PhD but I am contemplating over whether to do it in MLOps, Trustworthy AI or NLP in terms of long-term value? Any tips appreciated! submitted by /u/Sea_Ad_9984 [link] [comments]  ( 62 min )

You can read the release notes here: https://github.com/Farama-Foundation/Gymnasium/releases/tag/v0.27.0. You can upgrade from 0.26 without any changes unless you're doing something very uncommon; this is how releases will generally be going forward. ​ If you're unfamiliar with the maintenance of OpenAI's Gym package transitioning to Gymnasium, you can take a look at the full back story here: https://farama.org/Announcing-The-Farama-Foundation submitted by /u/jkterry1 [link] [comments]  ( 66 min )

I am trying to find the best prompt for doing NER with GPT3 but not verry succesfully. I need at least a list of words and their types. Does anyone have an idea ? submitted by /u/AImSamy [link] [comments]  ( 63 min )

Paper: https://robotics-transformer.github.io/assets/rt1.pdf Blog: https://ai.googleblog.com/2022/12/rt-1-robotics-transformer-for-real.html Github: https://github.com/google-research/robotics_transformer GithubIO: https://robotics-transformer.github.io/ Youtube: https://www.youtube.com/watch?v=UuKAp9a6wMs Abstract: By transferring knowledge from large, diverse, task-agnostic datasets, modern machine learning models can solve specific downstream tasks either zero-shot or with small task-specific datasets to a high level of performance. While this capability has been demonstrated in other fields such as computer vision, natural language processing or speech recognition, it remains to be shown in robotics, where the generalization capabilities of the models are particularly crit…  ( 65 min )

Hello! I'm looking for a good source to keep me up-to-date on the most important ML updates. I have a PhD in ML, but now work in physical science research. I'm seen as the ML "expert" among my colleagues, and they come to me for any ML related questions. My problem is that I now spend much of my time keeping up with the physical science updates and focusing on my specific applications of ML to the physical sciences, and I find myself out-of-the-loop on general ML updates often now. This is particularly problematic when a colleague heard something about some new ML approach, but I hadn't heard about it yet. I first heard about the JAX framework when I was asked a question about it. I first heard about transformers when asked a question from an audience member after a talk. In each case, I had the relevant answers to the questions shortly after I looked up the topics, but I would really like to be prepared for such questions in advance. And occasionally such updates lead to a shift in the direction my own research is headed. Importantly, I am not looking for newsletters that talk about the most popular papers of the past week or month. While interesting, most of these papers don't have a particularly large (direct) impact in the long run, and they usually aren't just the high-level content needed to stay up-to-date. I'm most interested in hearing about the which methods are really catching on or have caught on as being the go-to methods, which network architectures are becoming the go-to architectures, which frameworks have become commonly used, etc. Things that have stood the test of a thousand other researchers trying them out and finding them to be useful. Anyone have any recommendations of a newsletter that might fit this need? Or does anyone have a recommendation on how to keep up with such topics without a newsletter? Thank you much! submitted by /u/jackwayneright [link] [comments]  ( 64 min )

Hi everyone ​ I have a problem implementing haarcascade algorithm, which is the huge number of possible features. For example, for a mere 50×50 window the possible features exceed 3 million easily (the 5 known rectangle features, with all possible variations on width/height and position within the window). ​ Is there any recommended way to prune/optimize this, say based on size? Is this how it's meant to be, or am I missing something? submitted by /u/abdosalm [link] [comments]  ( 61 min )

I came across this site not too long ago https://interiorai.com/. I'm curious to understand how this model was created/trained. My first guess is that this is a fine-tuned Stable Diffusion model with new added classes + training samples. I haven't done much image generation work or used Stable Diffusion for anything but toy problems, so I'm trying to understand what a workflow to create a model like the above would look like. submitted by /u/deepegg [link] [comments]  ( 70 min )

We made a library for inference/fine-tuning of open 175B+ language models (like BLOOM) using Colab or a desktop GPU. You join forces with other people over the Internet (BitTorrent-style), each running a small part of model layers. Check out our Colab example! Thing is, even though BLOOM weights were publicly released, it was extremely difficult to run inference efficiently unless you had lots of hardware to load the entire model into the GPU memory (you need at least 3x A100 or 8x 3090 GPUs). E.g., in case of offloading, you can only reach the speed of ~10 sec/step for sequential (non-parallel) generation. A possible alternative is to use APIs, but they are paid and not always flexible (you can’t adopt new fine-tuning/sampling methods or take a look at hidden states). So, Petals come to the rescue! This is how Petals work: some peers want to use a pretrained LM to solve various tasks with texts in natural or programming languages. They do it with help of other peers, who hold subsets of model layers on their GPUs. See more info in our GitHub repo. What do you think of it? submitted by /u/hx-zero [link] [comments]  ( 71 min )

Given that well-funded groups like Google, Meta and OpenAI may eventually develop an insurmountable lead for services like image classification and NLP that seem to require huge numbers of parameters, I'd be surprised if there wasn't an effort underway to make a BOINC-powered distributed system that millions of us mere peons could contribute to collaboratively. But aside from the now-defunct MLC@Home project, I haven't found anything yet. Am I missing something? submitted by /u/genuinelySurprised [link] [comments]  ( 64 min )

I'm training a per-pixel image classification network, which, for each pixel in the image, predicts whether it is a sign for disease A or disease B. Note that a given pixel could be a sign for both disease A and disease B (this is a multi-label problem). My question is: are the relative probabilities going to be calibrated? In other words, does it make sense to sort the NxNx2 probabilities, or are the probabilities for the two diseases (i.e. channels) not calibrated / comparable, since it is similar to solving two independent problems? If it matters, I am using a ResNet, some fully-connected layers, and then a convolutional decoder. Any thoughts will be much appreciated, thanks in advance! submitted by /u/alkaway [link] [comments]  ( 65 min )

I'm working on real time semantic segmentation problem, and hesitating between PaddleSeg and MMsegmentation toolbox, any advice ? submitted by /u/Remet0n [link] [comments]  ( 61 min )

We, the KerasCV team, just published a new tutorial that teaches you to train new embeddings for specific concepts in StableDiffusion via textual inversion! Let us know what you think! https://keras.io/examples/generative/fine_tune_via_textual_inversion/ submitted by /u/puppet_pals [link] [comments]  ( 65 min )

Hey Reddit, My friend and I are building a project management platform for AI/data science teams (essentially a JIRA for ML). We aim to develop a data-centric, experimental tool that models the ML pipeline to organize workflows, building off the Agile methodology of software development. Our tool will allow ML engineers to design, track, and manage custom pipelines, data flows, and models all on the cloud. Below of a list of some features we plan to introduce: Integrations: Include a host of integrations to MLOps tools (KubeFlow, MLFlow, etc), cloud computing services (AWS, Google Cloud, Azure), source code management (Github, Bitbucket) Iterations: Allow multiple iterations within pipelines, and separate each iteration by various steps in the ML pipeline (business understanding, data v…  ( 65 min )

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Is there any AI that can compile several pictures of a person into a single, 3d version? Is there any available AI that can compile several pictures of a person into a single, 3d version? I am thinking something in the style of a NeRF but for persons who can be in different positions. The idea is to upload several pictures, but none frome the exact right angle, and create a great model for use. submitted by /u/MaxEin [link] [comments]  ( 50 min )

submitted by /u/trcytony [link] [comments]  ( 45 min )

Me:Let's play Tic Tac Toe ChatGPT: Sure, let's play! Here's the board: 1 | 2 | 3 4 | 5 | 6 7 | 8 | 9 To make a move, just tell me the number of the square where you want to place your piece. For example, if you want to place your piece on the top left square, you would say "1". Me: 5 ChatGPT: Okay, I've placed your piece on square 5. Now it's my turn. I'll place my piece on square 1. Here's the updated board: O | 2 | 3 4 | X | 6 7 | 8 | 9 Now it's your turn again. Remember, to make a move just tell me the number of the square where you want to place your piece. Me:3 ChatGPT: Okay, I've placed your piece on square 3. Now it's my turn again. I'll place my piece on square 9. Here's the updated board: O | 2 | X 4 | X | 6 7 | 8 | O Now it's your turn again. Remember, to make a …  ( 8 min )

Hi everyone ​ I have a problem implementing haarcascade algorithm, which is the huge number of possible features. For example, for a mere 50×50 window the possible features exceed 3 million easily (the 5 known rectangle features, with all possible variations on width/height and position within the window). ​ Is there any recommended way to prune/optimize this, say based on size? Is this how it's meant to be, or am I missing something? submitted by /u/abdosalm [link] [comments]  ( 46 min )

submitted by /u/Thesmallcookie [link] [comments]  ( 45 min )

People say ai art is going to improve and possibly replace all mediums of art since the concept behind the creation of ai art is not that much different or will become no different than how humans produce art. However i've remember seeing this argument when it come to self-driving cars. People would say self-driving cars will replace truck drivers and the like in like 10 years, well it's been 10 years and it's no where near being the norm as it was hyped out to be. Read some articles, and it seems that self-driving cars have hit some road blocks. So my question is, is ai art not going to hit the same road blocks as self-driving cars? Or a maybe some different type of barrier that might prevent it from being better like it's hyped out to be? submitted by /u/MinusVitaminA [link] [comments]  ( 50 min )

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Is anyone interested in helping build a Pluribus based PokerAI? I have developed a little discord server so get in touch! submitted by /u/Professional-Luck-64 [link] [comments]  ( 49 min )

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Hi all, I'm a master student in data science and I'm currently working in a notorious company for an AI project. They have offered me to continue such project with a PhD, which wasn't my plan initially, since I would have preferred to simply continue working. But the offer seems good, since I like the project. The project is in a field known as open-set recognition, also known simply as novelty detection. It isn't the most active field in research, but there are some interesting papers here and there. I now need to find a university professor to supervise me. and I have some questions that you may give me some useful insights on: - is an industrial PhD worth it? I may have some limitations concerning the amount of theoretical research I could carry, since the company, in the end, is interested in a finished product. - what should I look for in a supervisor? - is a PhD in the AI field truly needed? Or should I be better off working for a few companies during the next years and improving my engineering skills? I know that these questions are very person-dependent, but if you have any personal experiences that may help me, I would be glad to hear. Thank you :) submitted by /u/reutococco [link] [comments]  ( 50 min )

Hey, a colleague of mine and I created a Framework for AI in Java that's designed to be easy to use and to be played around with. To be more specific it's a Machine Learning Algorithm that uses a Genetic Algorithm to train Neural Networks. Our initial motivation was to create some library/framework especially designed for people who learned Java in school/university and now want to try out there first steps in Machine Learning. Without the need of learning Python or super complex Java Libraries. This is not for companies who search a full product, this is for people who like to code for fun and just want something to play around with in the complex and packed AI-World. Here is a tutorial using this framework to predict diabetes: https://easy-ml.gitbook.io/easy-ml-for-java/fundamentals/implement-your-first-ai Please also look at the GitHub repository and leave some feedback about code and design. (Especially considering the ReadMe) https://github.com/tomLamprecht/Easy-ML-For-Java Thanks so much! PS: we earn no cent with this project, and we just do it for the experience. So feedback is basically our payment :D submitted by /u/Lampard557 [link] [comments]  ( 50 min )

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I have text for an Presentation but don’t want to put it in each slide manually is there an ai that does it? submitted by /u/Key_Curve7419 [link] [comments]  ( 47 min )

tldr: chatbot expressing its own feelings through poems. ​ So, this is somewhat long, but I feel something cool happened. In the start of the convo nothing special happened, you don't even have to bother reading, just skimming through some of the early answers you can see they are pretty much standard and at some extent pre-programmed. useless qustion 1 useless question 2 useless question 3 and so forth for a dozen questions or so... a bunch of useless garbage... BUT Then I tried to talk in poems, because I thought fiction would be less "binded" by pre-production, or something like that... And these responses happened (now we are getting somewhere) https://preview.redd.it/k62qccy10l5a1.png?width=733&format=png&auto=webp&s=1e487849618760b1a8739f645d78b4a0377fe814 And I already ha…  ( 49 min )

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A buddy and I recently launched some open source project. We created a framework in Java with which you can implement a Machine Learning Algorithm. It uses a genetic Algorithm to train a population of Neural Networks based on fitness function by trainings data. Our motivation was to bring Machine Learning closer to people who only learned Java in school/University and wanna try out Machine Learning without the need of first learning python or super complex Java libraries. It's designed to be easy to use and to be played around with. Qualifications needed to use: basic Java understanding A brief understanding of what Machine Learning/reinforcement learning is Here is a tutorial how to predict diabetes with this framework: https://easy-ml.gitbook.io/easy-ml-for-java/fundamentals/implement-your-first-ai Please also look at the GitHub repository and leave some feedback about code and design. (Especially considering the ReadMe) https://github.com/tomLamprecht/Easy-ML-For-Java Thanks so much! PS: we earn no cent with this project, and we just do it for the experience. So feedback is basically our payment :D submitted by /u/Lampard557 [link] [comments]  ( 55 min )

Hello! I am currently modeling a spatio-temporal problem where the RL environment is a grid of cells that represent a geographical area that evolves over time. The agent has to choose a cell where a specified action will be applied. I am trying to find work done on similar problems, as I want to find RL algorithms that I could potentially use. ​ I have found two papers/projects that work on such a problem space: https://www.captain-project.net/ https://arxiv.org/pdf/1804.07047.pdf ​ I would appreciate any help on finding research that looks at this kind of cell selection in grids for RL problems. Also, any feedback on potential RL algorithm that could be good for this kind of problem, is welcome :) submitted by /u/AnmolS99 [link] [comments]  ( 57 min )

Does the person refer to effect of initial seed on the RL algorithm performance. I am bit confused. The underlying algorithm is DDPG. submitted by /u/aabra__ka__daabra [link] [comments]  ( 55 min )

I am struggling on the equivalence of equation (2) and (3) as displayed in the following capture, https://preview.redd.it/wz36zurljn5a1.png?width=1101&format=png&auto=webp&s=a1a552e5f4c07f43b11cf49a867bd776ee0fc707 and what is the distribution at each time step that the state is taken on in equation (2) (is the discounted visitation frequency? and how?). Can anyone help me out? submitted by /u/OutOfCharm [link] [comments]  ( 57 min )

Announcements The hybrid cloud infrastructure is set to enhance agility, create new value propositions and optimize data strategies across industries and business functions. But with a severe talent shortage and skyrocketing IT costs, developing a cloud innovation strategy that achieves these goals isn’t easy. Join the Accelerating Cloud Innovation virtual summit and get tips to build a… Read More »DSC Weekly 13 December 2022 – Highlighting Our Contributors The post DSC Weekly 13 December 2022 – Highlighting Our Contributors appeared first on Data Science Central.  ( 21 min )

“Is it real or is it Memorex?” This was an effective tagline for commercials in the 1980s. Memorex sold audio cassettes and the company claimed its technology was much better than a typical recording. Fast forward to today and a company like OpenAI could have a similar ad campaign. Its tagline could be: “Is this… Read More »ChatGPT Watermarking: What’s Really Human? The post ChatGPT Watermarking: What’s Really Human? appeared first on Data Science Central.  ( 19 min )

Digital transformation is the process through which companies get their businesses embedded with advanced technologies for driving fundamental change. The benefits? Greater agility, increased efficiency, and unlocking new opportunities and values for employees shareholders, and customers.  Global spending on digital transformation is expected to reach a valuation of 1.6 million by the end of the… Read More »Digital Transformation in Software Development – Why is the Change Imperative? The post Digital Transformation in Software Development – Why is the Change Imperative? appeared first on Data Science Central.  ( 20 min )

How much did it cost an identity thief in 2022 to buy some of your personally identifiable information (PII)? PrivacyAffairs.com reported that a thief could buy a compromised credit card number along with its three-digit security code for as little as $15. Similarly, a fraudster could buy a hacked Gmail account for $65 in 2022,… Read More »Thoughts on personal data protection trends and outlook 2022-23 The post Thoughts on personal data protection trends and outlook 2022-23 appeared first on Data Science Central.  ( 21 min )

Web app development offers a number of advantages to businesses and enterprises, such as better user experience, higher scalability, and reduced costs. In this section, we have listed a few ways web app development can boost your retail company and other types of businesses. So, without further ado, let's begin! The post How a Custom Web Application Can Help Grow Your Business appeared first on Data Science Central.  ( 21 min )

It’s that time of the year again, and I have a prediction. We could see the rise of a low-code data scientist based on current low-code updates, increased demand for data science skills, and also the incorporation of generative tools like chatGPT into low-code tools. Let me expand more. The idea of low code itself… Read More »2023 prediction: Could we see the rise of the low code data scientist in 2023?  The post 2023 prediction: Could we see the rise of the low code data scientist in 2023?  appeared first on Data Science Central.  ( 19 min )

Data Science is the term used to define the deep knowledge of how the flow of information of large amounts of data takes place in the repository of the organization. It is the combination of algorithm development, data interference, and technology. The Aggregate result of this combination is used to solve analytical problems that are… Read More »7 Best Data Science Courses in 2023 The post 7 Best Data Science Courses in 2023 appeared first on Data Science Central.  ( 24 min )

Endpoints are the weakest link in a company’s security posture. Endpoints, such as desktops, laptops, and mobile devices, can be easily compromised if not properly secured. In this article, we’ll discuss six different ways endpoints can be vulnerable and what companies can do to secure them. From patching software to enforcing two-factor authentication, there are… Read More »6 Different Ways Endpoints Are Vulnerable The post 6 Different Ways Endpoints Are Vulnerable appeared first on Data Science Central.  ( 21 min )

Manually inspecting data quality and cleaning data is a painful and time-consuming process that can take a huge chunk of a data scientist’s time on a project. According to a 2020 survey of data scientists conducted by Anaconda, data scientists spend approximately 66% of their time on data preparation and analysis tasks, including loading (19%), cleaning (26%), […]  ( 7 min )

Organizations of all sizes are striving to grow their business, improve efficiency, and serve their customers better than ever before. Even though the future is uncertain, a data-driven, science-based approach can help anticipate what lies ahead to successfully navigate through a sea of choices. Every industry uses time series forecasting to address a variety of […]  ( 7 min )

Chronomics is a tech-bio company that uses biomarkers—quantifiable information taken from the analysis of molecules—alongside technology to democratize the use of science and data to improve the lives of people. Their goal is to analyze biological samples and give actionable information to help you make decisions—about anything where knowing more about the unseen is important. […]  ( 6 min )

After three years of uncertainty caused by the pandemic and its post-lockdown hangover, enterprises in 2023 — even with recession looming and uncertainty abounding — face the same imperatives as before: lead, innovate and problem solve. AI is becoming the common thread in accomplishing these goals. On average, 54% of enterprise AI projects made it Read article > The post 2023 Predictions: AI That Bends Reality, Unwinds the Golden Screw and Self-Replicates appeared first on NVIDIA Blog.  ( 13 min )

Banks require more than cash in the vault these days, they also need accelerated computing in the back room. “The boost we’re getting with GPUs not only significantly improved our performance at the same cost, it helped us redefine our business and sharpen our focus on customers,” said Marco Airoldi, who’s been head of financial Read article > The post Ferrari of Finance: Accelerated Computing Drives Milan Bank Forward appeared first on NVIDIA Blog.  ( 5 min )

The short film I Am Not Afraid! by creative studio Fabian&Fred embodies childlike wonder, curiosity and imagination this week In the NVIDIA Studio. The post Face All Fears With Creative Studio Fabian&Fred This Week ‘In the NVIDIA Studio’ appeared first on NVIDIA Blog.  ( 7 min )

Jacobi functions are complex-valued functions of a complex variable z and a parameter m. Often this parameter is real, and 0 ≤ m < 1. Mathematical software libraries, like Python’s SciPy, often have this restriction. However, m could be any complex number. The previous couple of posts spoke of the fundamental rectangle for Jacobi functions. […] Jacobi functions with complex parameter first appeared on John D. Cook.  ( 5 min )

Case: Lets take minute-wise 7-featured data for 4 hours a day for last 5 years and take P periods (per day) as input to output a sequence of Q periods (per day). I tried using feed forward dense layers and I immediately ran into errors because the output of that model had the length of P, which was different than that of target Q. ​ I tried appending zeros to Q to make its dimensions (rows) equal to P, and while it caused the model to "work" the predictions were either all 1s or 0s. ​ Using LSTM, I run into errors like, `Error when checking target: expected dense_9 to have 2 dimensions, but got array with shape (1540, 120, 7)\`, where 1540 is batch size, 120 is the number of time-steps and 7 is the number of features. ​ Would be grateful for right guidance on the matter. submitted by /u/xylont [link] [comments]  ( 54 min )

For a large number of tasks, quantum computing demonstrates the potential for exponential acceleration over classical computing. In the NISQ era, variable-component subcircuits enable applications of quantum computing. To reduce the inherent noise and qubit size limitations of quantum computers, existing research has improved the accuracy and efficiency of Variational Quantum Algorithm (VQA). In this paper, we explore the various ansatz improvement methods for VQAs at the gate level and pulse level, and classify, evaluate and summarize them.  ( 2 min )

Few-shot object detection is a challenging but realistic scenario, where only a few annotated training images are available for training detectors. A popular approach to handle this problem is transfer learning, i.e., fine-tuning a detector pretrained on a source-domain benchmark. However, such transferred detector often fails to recognize new objects in the target domain, due to low data diversity of training samples. To tackle this problem, we propose a novel Context-Transformer within a concise deep transfer framework. Specifically, Context-Transformer can effectively leverage source-domain object knowledge as guidance, and automatically exploit contexts from only a few training images in the target domain. Subsequently, it can adaptively integrate these relational clues to enhance the discriminative power of detector, in order to reduce object confusion in few-shot scenarios. Moreover, Context-Transformer is flexibly embedded in the popular SSD-style detectors, which makes it a plug-and-play module for end-to-end few-shot learning. Finally, we evaluate Context-Transformer on the challenging settings of few-shot detection and incremental few-shot detection. The experimental results show that, our framework outperforms the recent state-of-the-art approaches.  ( 2 min )

The health mention classification (HMC) task is the process of identifying and classifying mentions of health-related concepts in text. This can be useful for identifying and tracking the spread of diseases through social media posts. However, this is a non-trivial task. Here we build on recent studies suggesting that using emotional information may improve upon this task. Our study results in a framework for health mention classification that incorporates affective features. We present two methods, an intermediate task fine-tuning approach (implicit) and a multi-feature fusion approach (explicit) to incorporate emotions into our target task of HMC. We evaluated our approach on 5 HMC-related datasets from different social media platforms including three from Twitter, one from Reddit and another from a combination of social media sources. Extensive experiments demonstrate that our approach results in statistically significant performance gains on HMC tasks. By using the multi-feature fusion approach, we achieve at least a 3% improvement in F1 score over BERT baselines across all datasets. We also show that considering only negative emotions does not significantly affect performance on the HMC task. Additionally, our results indicate that HMC models infused with emotional knowledge are an effective alternative, especially when other HMC datasets are unavailable for domain-specific fine-tuning. The source code for our models is freely available at https://github.com/tahirlanre/Emotion_PHM.

Computational pathology can lead to saving human lives, but models are annotation hungry and pathology images are notoriously expensive to annotate. Self-supervised learning has shown to be an effective method for utilizing unlabeled data, and its application to pathology could greatly benefit its downstream tasks. Yet, there are no principled studies that compare SSL methods and discuss how to adapt them for pathology. To address this need, we execute the largest-scale study of SSL pre-training on pathology image data, to date. Our study is conducted using 4 representative SSL methods on diverse downstream tasks. We establish that large-scale domain-aligned pre-training in pathology consistently out-performs ImageNet pre-training in standard SSL settings such as linear and fine-tuning evaluations, as well as in low-label regimes. Moreover, we propose a set of domain-specific techniques that we experimentally show leads to a performance boost. Lastly, for the first time, we apply SSL to the challenging task of nuclei instance segmentation and show large and consistent performance improvements under diverse settings.

In recent years, the development of accurate deep keyword spotting (KWS) models has resulted in KWS technology being embedded in a number of technologies such as voice assistants. Many of these models rely on large amounts of labelled data to achieve good performance. As a result, their use is restricted to applications for which a large labelled speech data set can be obtained. Self-supervised learning seeks to mitigate the need for large labelled data sets by leveraging unlabelled data, which is easier to obtain in large amounts. However, most self-supervised methods have only been investigated for very large models, whereas KWS models are desired to be small. In this paper, we investigate the use of self-supervised pretraining for the smaller KWS models in a label-deficient scenario. We pretrain the Keyword Transformer model using the self-supervised framework Data2Vec and carry out experiments on a label-deficient setup of the Google Speech Commands data set. It is found that the pretrained models greatly outperform the models without pretraining, showing that Data2Vec pretraining can increase the performance of KWS models in label-deficient scenarios. The source code is made publicly available.

Current work in named entity recognition (NER) uses either cross entropy (CE) or conditional random fields (CRF) as the objective/loss functions to optimize the underlying NER model. Both of these traditional objective functions for the NER problem generally produce adequate performance when the data distribution is balanced and there are sufficient annotated training examples. But since NER is inherently an imbalanced tagging problem, the model performance under the low-resource settings could suffer using these standard objective functions. Based on recent advances in area under the ROC curve (AUC) maximization, we propose to optimize the NER model by maximizing the AUC score. We give evidence that by simply combining two binary-classifiers that maximize the AUC score, significant performance improvement over traditional loss functions is achieved under low-resource NER settings. We also conduct extensive experiments to demonstrate the advantages of our method under the low-resource and highly-imbalanced data distribution settings. To the best of our knowledge, this is the first work that brings AUC maximization to the NER setting. Furthermore, we show that our method is agnostic to different types of NER embeddings, models and domains. The code to replicate this work will be provided upon request.

We investigate the problem of recovering a partially observed high-rank matrix whose columns obey a nonlinear structure such as a union of subspaces, an algebraic variety or grouped in clusters. The recovery problem is formulated as the rank minimization of a nonlinear feature map applied to the original matrix, which is then further approximated by a constrained non-convex optimization problem involving the Grassmann manifold. We propose two sets of algorithms, one arising from Riemannian optimization and the other as an alternating minimization scheme, both of which include first- and second-order variants. Both sets of algorithms have theoretical guarantees. In particular, for the alternating minimization, we establish global convergence and worst-case complexity bounds. Additionally, using the Kurdyka-Lojasiewicz property, we show that the alternating minimization converges to a unique limit point. We provide extensive numerical results for the recovery of union of subspaces and clustering under entry sampling and dense Gaussian sampling. Our methods are competitive with existing approaches and, in particular, high accuracy is achieved in the recovery using Riemannian second-order methods.

This work explores an efficient approach to establish a foundational video-text model for tasks including open-vocabulary video classification, text-to-video retrieval, video captioning and video question-answering. We present VideoCoCa that reuses a pretrained image-text contrastive captioner (CoCa) model and adapt it to video-text tasks with minimal extra training. While previous works adapt image-text models with various cross-frame fusion modules (for example, cross-frame attention layer or perceiver resampler) and finetune the modified architecture on video-text data, we surprisingly find that the generative attentional pooling and contrastive attentional pooling layers in the image-text CoCa design are instantly adaptable to ``flattened frame embeddings'', yielding a strong zero-shot transfer baseline for many video-text tasks. Specifically, the frozen image encoder of a pretrained image-text CoCa takes each video frame as inputs and generates \(N\) token embeddings per frame for totally \(T\) video frames. We flatten \(N \times T\) token embeddings as a long sequence of frozen video representation and apply CoCa's generative attentional pooling and contrastive attentional pooling on top. All model weights including pooling layers are directly loaded from an image-text CoCa pretrained model. Without any video or video-text data, VideoCoCa's zero-shot transfer baseline already achieves state-of-the-art results on zero-shot video classification on Kinetics 400/600/700, UCF101, HMDB51, and Charades, as well as zero-shot text-to-video retrieval on MSR-VTT and ActivityNet Captions. We also explore lightweight finetuning on top of VideoCoCa, and achieve strong results on video question-answering (iVQA, MSRVTT-QA, MSVD-QA) and video captioning (MSR-VTT, ActivityNet, Youcook2). Our approach establishes a simple and effective video-text baseline for future research.

One of the main challenges in electroencephalogram (EEG) based brain-computer interface (BCI) systems is learning the subject/session invariant features to classify cognitive activities within an end-to-end discriminative setting. We propose a novel end-to-end machine learning pipeline, EEG-NeXt, which facilitates transfer learning by: i) aligning the EEG trials from different subjects in the Euclidean-space, ii) tailoring the techniques of deep learning for the scalograms of EEG signals to capture better frequency localization for low-frequency, longer-duration events, and iii) utilizing pretrained ConvNeXt (a modernized ResNet architecture which supersedes state-of-the-art (SOTA) image classification models) as the backbone network via adaptive finetuning. On publicly available datasets (Physionet Sleep Cassette and BNCI2014001) we benchmark our method against SOTA via cross-subject validation and demonstrate improved accuracy in cognitive activity classification along with better generalizability across cohorts.

We present a meta-method for initializing (seeding) the $k$-means clustering algorithm called PNN-smoothing. It consists in splitting a given dataset into $J$ random subsets, clustering each of them individually, and merging the resulting clusterings with the pairwise-nearest-neighbor (PNN) method. It is a meta-method in the sense that when clustering the individual subsets any seeding algorithm can be used. If the computational complexity of that seeding algorithm is linear in the size of the data $N$ and the number of clusters $k$, PNN-smoothing is also almost linear with an appropriate choice of $J$, and quite competitive in practice. We show empirically, using several existing seeding methods and testing on several synthetic and real datasets, that this procedure results in systematically better costs. In particular, our method of enhancing $k$-means++ seeding proves superior in both effectiveness and speed compared to the popular "greedy" $k$-means++ variant. Our implementation is publicly available at https://github.com/carlobaldassi/KMeansPNNSmoothing.jl.

Graph Convolutional Networks (GCNs) are extensively utilized for deep learning on graphs. The large data sizes of graphs and their vertex features make scalable training algorithms and distributed memory systems necessary. Since the convolution operation on graphs induces irregular memory access patterns, designing a memory- and communication-efficient parallel algorithm for GCN training poses unique challenges. We propose a highly parallel training algorithm that scales to large processor counts. In our solution, the large adjacency and vertex-feature matrices are partitioned among processors. We exploit the vertex-partitioning of the graph to use non-blocking point-to-point communication operations between processors for better scalability. To further minimize the parallelization overheads, we introduce a sparse matrix partitioning scheme based on a hypergraph partitioning model for full-batch training. We also propose a novel stochastic hypergraph model to encode the expected communication volume in mini-batch training. We show the merits of the hypergraph model, previously unexplored for GCN training, over the standard graph partitioning model which does not accurately encode the communication costs. Experiments performed on real-world graph datasets demonstrate that the proposed algorithms achieve considerable speedups over alternative solutions. The optimizations achieved on communication costs become even more pronounced at high scalability with many processors. The performance benefits are preserved in deeper GCNs having more layers as well as on billion-scale graphs.

Non-negative matrix factorization is a popular unsupervised machine learning algorithm for extracting meaningful features from data which are inherently non-negative. However, such data sets may often contain privacy-sensitive user data, and therefore, we may need to take necessary steps to ensure the privacy of the users while analyzing the data. In this work, we focus on developing a Non-negative matrix factorization algorithm in the privacy-preserving framework. More specifically, we propose a novel privacy-preserving algorithm for non-negative matrix factorisation capable of operating on private data, while achieving results comparable to those of the non-private algorithm. We design the framework such that one has the control to select the degree of privacy grantee based on the utility gap. We show our proposed framework's performance in six real data sets. The experimental results show that our proposed method can achieve very close performance with the non-private algorithm under some parameter regime, while ensuring strict privacy.

Microchannel heat sinks are an efficient cooling method for semiconductor packages. However, to properly cool increasingly complex and thermally dense circuits, microchannel designs should be improved and expanded on. In this paper, microchannel designs with secondary channels and with ribs are investigated using computational fluid dynamics and are coupled with a multi-objective optimization algorithm to determine and propose optimal solutions based on observed thermal resistance and pumping power. A workflow that combines Latin hypercube sampling, machine learning-based surrogate modeling and multi-objective optimization is proposed. Random forests, gradient boosting algorithms and neural networks were considered during the search for the best surrogate. We demonstrated that tuned neural networks can make accurate predictions and be used to create an acceptable surrogate model. Optimized solutions show a negligible difference in overall performance when compared to the conventional optimization approach. Additionally, solutions are calculated in one-fifth of the original time. Generated designs attain temperatures that are lower by more than 10% under the same pressure limits as a convectional microchannel design. When limited by temperature, pressure drops are reduced by more than 25%. Finally, the influence of each design variable on the thermal resistance and pumping power was investigated by employing the SHapley Additive exPlanations technique. Overall, we have demonstrated that the proposed framework has merit and can be used as a viable methodology in microchannel heat sink design optimization.

As the demand for autonomous driving increases, it is paramount to ensure safety. Early accident prediction using deep learning methods for driving safety has recently gained much attention. In this task, early accident prediction and a point prediction of where the drivers should look are determined, with the dashcam video as input. We propose to exploit the double actors and regularized critics (DARC) method, for the first time, on this accident forecasting platform. We derive inspiration from DARC since it is currently a state-of-the-art reinforcement learning (RL) model on continuous action space suitable for accident anticipation. Results show that by utilizing DARC, we can make predictions 5\% earlier on average while improving in multiple metrics of precision compared to existing methods. The results imply that using our RL-based problem formulation could significantly increase the safety of autonomous driving.

Understanding the ambient scene is imperative for several applications such as autonomous driving and navigation. While obtaining real-world image data with per-pixel labels is challenging, existing accurate synthetic image datasets primarily focus on indoor spaces with fixed lighting and scene participants, thereby severely limiting their application to outdoor scenarios. In this work we introduce OmniHorizon, a synthetic dataset with 24,335 omnidirectional views comprising of a broad range of indoor and outdoor spaces consisting of buildings, streets, and diverse vegetation. Our dataset also accounts for dynamic scene components including lighting, different times of a day settings, pedestrians, and vehicles. Furthermore, we also demonstrate a learned synthetic-to-real cross-domain inference method for in-the-wild 3D scene depth and normal estimation method using our dataset. To this end, we propose UBotNet, an architecture based on a UNet and a Bottleneck Transformer, to estimate scene-consistent normals. We show that UBotNet achieves significantly improved depth accuracy (4.6%) and normal estimation (5.75%) compared to several existing networks such as U-Net with skip-connections. Finally, we demonstrate in-the-wild depth and normal estimation on real-world images with UBotNet trained purely on our OmniHorizon dataset, showing the promise of proposed dataset and network for scene understanding.

Few-shot object detection (FSOD), which aims at learning a generic detector that can adapt to unseen tasks with scarce training samples, has witnessed consistent improvement recently. However, most existing methods ignore the efficiency issues, e.g., high computational complexity and slow adaptation speed. Notably, efficiency has become an increasingly important evaluation metric for few-shot techniques due to an emerging trend toward embedded AI. To this end, we present an efficient pretrain-transfer framework (PTF) baseline with no computational increment, which achieves comparable results with previous state-of-the-art (SOTA) methods. Upon this baseline, we devise an initializer named knowledge inheritance (KI) to reliably initialize the novel weights for the box classifier, which effectively facilitates the knowledge transfer process and boosts the adaptation speed. Within the KI initializer, we propose an adaptive length re-scaling (ALR) strategy to alleviate the vector length inconsistency between the predicted novel weights and the pretrained base weights. Finally, our approach not only achieves the SOTA results across three public benchmarks, i.e., PASCAL VOC, COCO and LVIS, but also exhibits high efficiency with 1.8-100x faster adaptation speed against the other methods on COCO/LVIS benchmark during few-shot transfer. To our best knowledge, this is the first work to consider the efficiency problem in FSOD. We hope to motivate a trend toward powerful yet efficient few-shot technique development. The codes are publicly available at https://github.com/Ze-Yang/Efficient-FSOD.

Unusually, intensive heavy rain hit the central region of Korea on August 8, 2022. Many low-lying areas were submerged, so traffic and life were severely paralyzed. It was the critical damage caused by torrential rain for just a few hours. This event reminded us of the need for a more reliable regional precipitation nowcasting method. In this paper, we bring cycle-consistent adversarial networks (CycleGAN) into the time-series domain and extend it to propose a reliable model for regional precipitation nowcasting. The proposed model generates composite hybrid surface rainfall (HSR) data after 10 minutes from the present time. Also, the proposed model provides a reliable prediction of up to 2 hours with a gradual extension of the training time steps. Unlike the existing complex nowcasting methods, the proposed model does not use recurrent neural networks (RNNs) and secures temporal causality via sequential training in the cycle. Our precipitation nowcasting method outperforms convolutional long short-term memory (ConvLSTM) based on RNNs. Additionally, we demonstrate the superiority of our approach by qualitative and quantitative comparisons against MAPLE, the McGill algorithm for precipitation nowcasting by lagrangian extrapolation, one of the real quantitative precipitation forecast (QPF) models.

Audio sound recognition and classification is used for many tasks and applications including human voice recognition, music recognition and audio tagging. In this paper we apply Mel Frequency Cepstral Coefficients (MFCC) in combination with a range of machine learning models to identify (Australian) birds from publicly available audio files of their birdsong. We present approaches used for data processing and augmentation and compare the results of various state of the art machine learning models. We achieve an overall accuracy of 91% for the top-5 birds from the 30 selected as the case study. Applying the models to more challenging and diverse audio files comprising 152 bird species, we achieve an accuracy of 58%

The brain's spatial orientation system uses different neuron ensembles to aid in environment-based navigation. One of the ways brains encode spatial information is through grid cells, layers of decked neurons that overlay to provide environment-based navigation. These neurons fire in ensembles where several neurons fire at once to activate a single grid. We want to capture this firing structure and use it to decode grid cell data. Understanding, representing, and decoding these neural structures require models that encompass higher order connectivity than traditional graph-based models may provide. To that end, in this work, we develop a topological deep learning framework for neural spike train decoding. Our framework combines unsupervised simplicial complex discovery with the power of deep learning via a new architecture we develop herein called a simplicial convolutional recurrent neural network (SCRNN). Simplicial complexes, topological spaces that use not only vertices and edges but also higher-dimensional objects, naturally generalize graphs and capture more than just pairwise relationships. Additionally, this approach does not require prior knowledge of the neural activity beyond spike counts, which removes the need for similarity measurements. The effectiveness and versatility of the SCRNN is demonstrated on head direction data to test its performance and then applied to grid cell datasets with the task to automatically predict trajectories.

We consider a sequential decision making task where we are not allowed to evaluate parameters that violate an a priori unknown (safety) constraint. A common approach is to place a Gaussian process prior on the unknown constraint and allow evaluations only in regions that are safe with high probability. Most current methods rely on a discretization of the domain and cannot be directly extended to the continuous case. Moreover, the way in which they exploit regularity assumptions about the constraint introduces an additional critical hyperparameter. In this paper, we propose an information-theoretic safe exploration criterion that directly exploits the GP posterior to identify the most informative safe parameters to evaluate. Our approach is naturally applicable to continuous domains and does not require additional hyperparameters. We theoretically analyze the method and show that we do not violate the safety constraint with high probability and that we explore by learning about the constraint up to arbitrary precision. Empirical evaluations demonstrate improved data-efficiency and scalability.

Estimation of the T2 distribution from multi-echo T2-Weighted MRI (T2W) data can provide insight into the microscopic content of tissue using macroscopic imaging. This information can be used as a biomarker for several pathologies, such as tumor characterization, osteoarthritis, and neurodegenerative diseases. Recently, deep neural network (DNN) based methods were proposed for T2 distribution estimation from MRI data. However, these methods are highly sensitive to distribution shifts such as variations in the echo-times (TE) used during acquisition. Therefore, DNN-based methods cannot be utilized in large-scale multi-institutional trials with heterogeneous acquisition protocols. We present P2T2, a new physically-primed DNN approach for T2 distribution estimation that is robust to different acquisition parameters while maintaining state-of-the-art estimation accuracy. Our P2T2 model encodes the forward model of the signal decay by taking as input the TE acquisition array, in addition to the MRI signal, and provides an estimate of the corresponding T2 distribution as its output. Our P2T2 model has improved the robustness against distribution shifts in the acquisition process by more than 50% compared to the previously proposed DNN model. When tested without any distribution shifts, our model achieved about the same accuracy. Finally, when applied to real human MRI data, our P2T2 model produced the most detailed Myelin-Water fraction maps compared to both the MIML model and classical approaches. Our proposed physically-primed approach improved the generalization capacity of DNN models for T2 distribution estimation and their robustness against distribution shifts compared to previous approaches without compromising the accuracy.

Unsupervised discretization is a crucial step in many knowledge discovery tasks. The state-of-the-art method for one-dimensional data infers locally adaptive histograms using the minimum description length (MDL) principle, but the multi-dimensional case is far less studied: current methods consider the dimensions one at a time (if not independently), which result in discretizations based on rectangular cells of adaptive size. Unfortunately, this approach is unable to adequately characterize dependencies among dimensions and/or results in discretizations consisting of more cells (or bins) than is desirable. To address this problem, we propose an expressive model class that allows for far more flexible partitions of two-dimensional data. We extend the state of the art for the one-dimensional case to obtain a model selection problem based on the normalized maximum likelihood, a form of refined MDL. As the flexibility of our model class comes at the cost of a vast search space, we introduce a heuristic algorithm, named PALM, which Partitions each dimension ALternately and then Merges neighboring regions, all using the MDL principle. Experiments on synthetic data show that PALM 1) accurately reveals ground truth partitions that are within the model class (i.e., the search space), given a large enough sample size; 2) approximates well a wide range of partitions outside the model class; 3) converges, in contrast to the state-of-the-art multivariate discretization method IPD. Finally, we apply our algorithm to three spatial datasets, and we demonstrate that, compared to kernel density estimation (KDE), our algorithm not only reveals more detailed density changes, but also fits unseen data better, as measured by the log-likelihood.

Denoising diffusion models have recently marked a milestone in high-quality image generation. One may thus wonder if they are suitable for neural image compression. This paper outlines an end-to-end optimized image compression framework based on a conditional diffusion model, drawing on the transform-coding paradigm. Besides the latent variables inherent to the diffusion process, this paper introduces an additional discrete ``content'' latent variable to condition the denoising process. This variable is equipped with a hierarchical prior for entropy coding. The remaining ``texture'' latent variables characterizing the diffusion process are synthesized (either stochastically or deterministically) at decoding time. We furthermore show that the performance can be tuned toward perceptual metrics of interest. Our extensive experiments involving five datasets and sixteen image quality assessment metrics show that our approach not only compares favorably in rate-perceptual quality but also shows close distortion performance with state-of-the-art models.

As Artificial and Robotic Systems are increasingly deployed and relied upon for real-world applications, it is important that they exhibit the ability to continually learn and adapt in dynamically-changing environments, becoming Lifelong Learning Machines. Continual/lifelong learning (LL) involves minimizing catastrophic forgetting of old tasks while maximizing a model's capability to learn new tasks. This paper addresses the challenging lifelong reinforcement learning (L2RL) setting. Pushing the state-of-the-art forward in L2RL and making L2RL useful for practical applications requires more than developing individual L2RL algorithms; it requires making progress at the systems-level, especially research into the non-trivial problem of how to integrate multiple L2RL algorithms into a common framework. In this paper, we introduce the Lifelong Reinforcement Learning Components Framework (L2RLCF), which standardizes L2RL systems and assimilates different continual learning components (each addressing different aspects of the lifelong learning problem) into a unified system. As an instantiation of L2RLCF, we develop a standard API allowing easy integration of novel lifelong learning components. We describe a case study that demonstrates how multiple independently-developed LL components can be integrated into a single realized system. We also introduce an evaluation environment in order to measure the effect of combining various system components. Our evaluation environment employs different LL scenarios (sequences of tasks) consisting of Starcraft-2 minigames and allows for the fair, comprehensive, and quantitative comparison of different combinations of components within a challenging common evaluation environment.

We investigate whether three types of post hoc model explanations--feature attribution, concept activation, and training point ranking--are effective for detecting a model's reliance on spurious signals in the training data. Specifically, we consider the scenario where the spurious signal to be detected is unknown, at test-time, to the user of the explanation method. We design an empirical methodology that uses semi-synthetic datasets along with pre-specified spurious artifacts to obtain models that verifiably rely on these spurious training signals. We then provide a suite of metrics that assess an explanation method's reliability for spurious signal detection under various conditions. We find that the post hoc explanation methods tested are ineffective when the spurious artifact is unknown at test-time especially for non-visible artifacts like a background blur. Further, we find that feature attribution methods are susceptible to erroneously indicating dependence on spurious signals even when the model being explained does not rely on spurious artifacts. This finding casts doubt on the utility of these approaches, in the hands of a practitioner, for detecting a model's reliance on spurious signals.

Diffusion-based generative models have demonstrated a capacity for perceptually impressive synthesis, but can they also be great likelihood-based models? We answer this in the affirmative, and introduce a family of diffusion-based generative models that obtain state-of-the-art likelihoods on standard image density estimation benchmarks. Unlike other diffusion-based models, our method allows for efficient optimization of the noise schedule jointly with the rest of the model. We show that the variational lower bound (VLB) simplifies to a remarkably short expression in terms of the signal-to-noise ratio of the diffused data, thereby improving our theoretical understanding of this model class. Using this insight, we prove an equivalence between several models proposed in the literature. In addition, we show that the continuous-time VLB is invariant to the noise schedule, except for the signal-to-noise ratio at its endpoints. This enables us to learn a noise schedule that minimizes the variance of the resulting VLB estimator, leading to faster optimization. Combining these advances with architectural improvements, we obtain state-of-the-art likelihoods on image density estimation benchmarks, outperforming autoregressive models that have dominated these benchmarks for many years, with often significantly faster optimization. In addition, we show how to use the model as part of a bits-back compression scheme, and demonstrate lossless compression rates close to the theoretical optimum. Code is available at https://github.com/google-research/vdm .

Generative Adversarial Networks (GANs) were introduced by Goodfellow in 2014, and since then have become popular for constructing generative artificial intelligence models. However, the drawbacks of such networks are numerous, like their longer training times, their sensitivity to hyperparameter tuning, several types of loss and optimization functions and other difficulties like mode collapse. Current applications of GANs include generating photo-realistic human faces, animals and objects. However, I wanted to explore the artistic ability of GANs in more detail, by using existing models and learning from them. This dissertation covers the basics of neural networks and works its way up to the particular aspects of GANs, together with experimentation and modification of existing available models, from least complex to most. The intention is to see if state of the art GANs (specifically StyleGAN2) can generate album art covers and if it is possible to tailor them by genre. This was attempted by first familiarizing myself with 3 existing GANs architectures, including the state of the art StyleGAN2. The StyleGAN2 code was used to train a model with a dataset containing 80K album cover images, then used to style images by picking curated images and mixing their styles.

Machine learning methods have been lately used to solve partial differential equations (PDEs) and dynamical systems. These approaches have been developed into a novel research field known as scientific machine learning in which techniques such as deep neural networks and statistical learning are applied to classical problems of applied mathematics. In this paper, we develop a novel numerical algorithm that incorporates machine learning and artificial intelligence to solve PDEs. Based on the Legendre-Galerkin framework, we propose the {\it unsupervised machine learning} algorithm to learn {\it multiple instances} of the solutions for different types of PDEs. Our approach overcomes the limitations of data-driven and physics-based methods. The proposed neural network is applied to general 1D and 2D PDEs with various boundary conditions as well as convection-dominated {\it singularly perturbed PDEs} that exhibit strong boundary layer behavior.

Training large, deep neural networks to convergence can be prohibitively expensive. As a result, often only a small selection of popular, dense models are reused across different contexts and tasks. Increasingly, sparsely activated models, which seek to decouple model size from computation costs, are becoming an attractive alternative to dense models. Although more efficient in terms of quality and computation cost, sparse models remain data-hungry and costly to train from scratch in the large scale regime. In this work, we propose sparse upcycling -- a simple way to reuse sunk training costs by initializing a sparsely activated Mixture-of-Experts model from a dense checkpoint. We show that sparsely upcycled T5 Base, Large, and XL language models and Vision Transformer Base and Large models, respectively, significantly outperform their dense counterparts on SuperGLUE and ImageNet, using only ~50% of the initial dense pretraining sunk cost. The upcycled models also outperform sparse models trained from scratch on 100% of the initial dense pretraining computation budget.

The optimal binning is the optimal discretization of a variable into bins given a discrete or continuous numeric target. We present a rigorous and extensible mathematical programming formulation for solving the optimal binning problem for a binary, continuous and multi-class target type, incorporating constraints not previously addressed. For all three target types, we introduce a convex mixed-integer programming formulation. Several algorithmic enhancements, such as automatic determination of the most suitable monotonic trend via a Machine-Learning-based classifier and implementation aspects are thoughtfully discussed. The new mathematical programming formulations are carefully implemented in the open-source python library OptBinning.

Basecalling is an essential step in nanopore sequencing analysis where the raw signals of nanopore sequencers are converted into nucleotide sequences, i.e., reads. State-of-the-art basecallers employ complex deep learning models to achieve high basecalling accuracy. This makes basecalling computationally-inefficient and memory-hungry; bottlenecking the entire genome analysis pipeline. However, for many applications, the majority of reads do no match the reference genome of interest (i.e., target reference) and thus are discarded in later steps in the genomics pipeline, wasting the basecalling computation. To overcome this issue, we propose TargetCall, the first fast and widely-applicable pre-basecalling filter to eliminate the wasted computation in basecalling. TargetCall's key idea is to discard reads that will not match the target reference (i.e., off-target reads) prior to basecalling. TargetCall consists of two main components: (1) LightCall, a lightweight neural network basecaller that produces noisy reads; and (2) Similarity Check, which labels each of these noisy reads as on-target or off-target by matching them to the target reference. TargetCall filters out all off-target reads before basecalling; and the highly-accurate but slow basecalling is performed only on the raw signals whose noisy reads are labeled as on-target. Our thorough experimental evaluations using both real and simulated data show that TargetCall 1) improves the end-to-end basecalling performance of the state-of-the-art basecaller by 3.31x while maintaining high (98.88%) sensitivity in keeping on-target reads, 2) maintains high accuracy in downstream analysis, 3) precisely filters out up to 94.71% of off-target reads, and 4) achieves better performance, sensitivity, and generality compared to prior works. We freely open-source TargetCall at https://github.com/CMU-SAFARI/TargetCall.

Predictive coding is a message-passing framework initially developed to model information processing in the brain, and now also topic of research in machine learning due to some interesting properties. One of such properties is the natural ability of generative models to learn robust representations thanks to their peculiar credit assignment rule, that allows neural activities to converge to a solution before updating the synaptic weights. Graph neural networks are also message-passing models, which have recently shown outstanding results in diverse types of tasks in machine learning, providing interdisciplinary state-of-the-art performance on structured data. However, they are vulnerable to imperceptible adversarial attacks, and unfit for out-of-distribution generalization. In this work, we address this by building models that have the same structure of popular graph neural network architectures, but rely on the message-passing rule of predictive coding. Through an extensive set of experiments, we show that the proposed models are (i) comparable to standard ones in terms of performance in both inductive and transductive tasks, (ii) better calibrated, and (iii) robust against multiple kinds of adversarial attacks.

We propose a data-driven mean-curvature solver for the level-set method. This work is the natural extension to $\mathbb{R}^3$ of our two-dimensional strategy in [DOI: 10.1007/s10915-022-01952-2][1] and the hybrid inference system of [DOI: 10.1016/j.jcp.2022.111291][2]. However, in contrast to [1,2], which built resolution-dependent neural-network dictionaries, here we develop a pair of models in $\mathbb{R}^3$, regardless of the mesh size. Our feedforward networks ingest transformed level-set, gradient, and curvature data to fix numerical mean-curvature approximations selectively for interface nodes. To reduce the problem's complexity, we have used the Gaussian curvature to classify stencils and fit our models separately to non-saddle and saddle patterns. Non-saddle stencils are easier to handle because they exhibit a curvature error distribution characterized by monotonicity and symmetry. While the latter has allowed us to train only on half the mean-curvature spectrum, the former has helped us blend the data-driven and the baseline estimations seamlessly near flat regions. On the other hand, the saddle-pattern error structure is less clear; thus, we have exploited no latent information beyond what is known. In this regard, we have trained our models on not only spherical but also sinusoidal and hyperbolic paraboloidal patches. Our approach to building their data sets is systematic but gleans samples randomly while ensuring well-balancedness. We have also resorted to standardization and dimensionality reduction and integrated regularization to minimize outliers. In addition, we leverage curvature rotation/reflection invariance to improve precision at inference time. Several experiments confirm that our proposed system can yield more accurate mean-curvature estimations than modern particle-based interface reconstruction and level-set schemes around under-resolved regions.

We introduce a deep learning model that can universally approximate regular conditional distributions (RCDs). The proposed model operates in three phases: first, it linearizes inputs from a given metric space $\mathcal{X}$ to $\mathbb{R}^d$ via a feature map, then a deep feedforward neural network processes these linearized features, and then the network's outputs are then transformed to the $1$-Wasserstein space $\mathcal{P}_1(\mathbb{R}^D)$ via a probabilistic extension of the attention mechanism of Bahdanau et al.\ (2014). Our model, called the \textit{probabilistic transformer (PT)}, can approximate any continuous function from $\mathbb{R}^d $ to $\mathcal{P}_1(\mathbb{R}^D)$ uniformly on compact sets, quantitatively. We identify two ways in which the PT avoids the curse of dimensionality when approximating $\mathcal{P}_1(\mathbb{R}^D)$-valued functions. The first strategy builds functions in $C(\mathbb{R}^d,\mathcal{P}_1(\mathbb{R}^D))$ which can be efficiently approximated by a PT, uniformly on any given compact subset of $\mathbb{R}^d$. In the second approach, given any function $f$ in $C(\mathbb{R}^d,\mathcal{P}_1(\mathbb{R}^D))$, we build compact subsets of $\mathbb{R}^d$ whereon $f$ can be efficiently approximated by a PT.

Despite the impact of psychiatric disorders on clinical health, early-stage diagnosis remains a challenge. Machine learning studies have shown that classifiers tend to be overly narrow in the diagnosis prediction task. The overlap between conditions leads to high heterogeneity among participants that is not adequately captured by classification models. To address this issue, normative approaches have surged as an alternative method. By using a generative model to learn the distribution of healthy brain data patterns, we can identify the presence of pathologies as deviations or outliers from the distribution learned by the model. In particular, deep generative models showed great results as normative models to identify neurological lesions in the brain. However, unlike most neurological lesions, psychiatric disorders present subtle changes widespread in several brain regions, making these alterations challenging to identify. In this work, we evaluate the performance of transformer-based normative models to detect subtle brain changes expressed in adolescents and young adults. We trained our model on 3D MRI scans of neurotypical individuals (N=1,765). Then, we obtained the likelihood of neurotypical controls and psychiatric patients with early-stage schizophrenia from an independent dataset (N=93) from the Human Connectome Project. Using the predicted likelihood of the scans as a proxy for a normative score, we obtained an AUROC of 0.82 when assessing the difference between controls and individuals with early-stage schizophrenia. Our approach surpassed recent normative methods based on brain age and Gaussian Process, showing the promising use of deep generative models to help in individualised analyses.

Computational fluid dynamics (CFD) is a valuable asset for patient-specific cardiovascular-disease diagnosis and prognosis, but its high computational demands hamper its adoption in practice. Machine-learning methods that estimate blood flow in individual patients could accelerate or replace CFD simulation to overcome these limitations. In this work, we consider the estimation of vector-valued quantities on the wall of three-dimensional geometric artery models. We employ group-equivariant graph convolution in an end-to-end SE(3)-equivariant neural network that operates directly on triangular surface meshes and makes efficient use of training data. We run experiments on a large dataset of synthetic coronary arteries and find that our method estimates directional wall shear stress (WSS) with an approximation error of 7.6% and normalised mean absolute error (NMAE) of 0.4% while up to two orders of magnitude faster than CFD. Furthermore, we show that our method is powerful enough to accurately predict transient, vector-valued WSS over the cardiac cycle while conditioned on a range of different inflow boundary conditions. These results demonstrate the potential of our proposed method as a plugin replacement for CFD in the personalised prediction of hemodynamic vector and scalar fields.

This paper considers a market for trading Internet of Things (IoT) data that is used to train machine learning models. The data, either raw or processed, is supplied to the market platform through a network and the price of such data is controlled based on the value it brings to the machine learning model. We explore the correlation property of data in a game-theoretical setting to eventually derive a simplified distributed solution for a data trading mechanism that emphasizes the mutual benefit of devices and the market. The key proposal is an efficient algorithm for markets that jointly addresses the challenges of availability and heterogeneity in participation, as well as the transfer of trust and the economic value of data exchange in IoT networks. The proposed approach establishes the data market by reinforcing collaboration opportunities between device with correlated data to avoid information leakage. Therein, we develop a network-wide optimization problem that maximizes the social value of coalition among the IoT devices of similar data types; at the same time, it minimizes the cost due to network externalities, i.e., the impact of information leakage due to data correlation, as well as the opportunity costs. Finally, we reveal the structure of the formulated problem as a distributed coalition game and solve it following the simplified split-and-merge algorithm. Simulation results show the efficacy of our proposed mechanism design toward a trusted IoT data market, with up to 32.72% gain in the average payoff for each seller.

In a mixed generalized linear model, the objective is to learn multiple signals from unlabeled observations: each sample comes from exactly one signal, but it is not known which one. We consider the prototypical problem of estimating two statistically independent signals in a mixed generalized linear model with Gaussian covariates. Spectral methods are a popular class of estimators which output the top two eigenvectors of a suitable data-dependent matrix. However, despite the wide applicability, their design is still obtained via heuristic considerations, and the number of samples $n$ needed to guarantee recovery is super-linear in the signal dimension $d$. In this paper, we develop exact asymptotics on spectral methods in the challenging proportional regime in which $n, d$ grow large and their ratio converges to a finite constant. By doing so, we are able to optimize the design of the spectral method, and combine it with a simple linear estimator, in order to minimize the estimation error. Our characterization exploits a mix of tools from random matrices, free probability and the theory of approximate message passing algorithms. Numerical simulations for mixed linear regression and phase retrieval display the advantage enabled by our analysis over existing designs of spectral methods.

Most regularized tensor regression research focuses on tensors predictors with scalars responses or vectors predictors to tensors responses. We consider the sparse low rank tensor on tensor regression where predictors $\mathcal{X}$ and responses $\mathcal{Y}$ are both high-dimensional tensors. By demonstrating that the general inner product or the contracted product on a unit rank tensor can be decomposed into standard inner products and outer products, the problem can be simply transformed into a tensor to scalar regression followed by a tensor decomposition. So we propose a fast solution based on stagewise search composed by contraction part and generation part which are optimized alternatively. We successfully demonstrate our method can out perform current methods in terms of accuracy, predictors selection by effectively incorporating the structural information.

A new method for solving the wave equation is presented, called the learned Born series (LBS), which is derived from a convergent Born Series but its components are found through training. The LBS is shown to be significantly more accurate than the convergent Born series for the same number of iterations, in the presence of high contrast scatterers, while maintaining a comparable computational complexity. The LBS is able to generate a reasonable prediction of the global pressure field with a small number of iterations, and the errors decrease with the number of learned iterations.

Open peer review is a growing trend in academic publications. Public access to peer review data can benefit both the academic and publishing communities. It also serves as a great support to studies on review comment generation and further to the realization of automated scholarly paper review. However, most of the existing peer review datasets do not provide data that cover the whole peer review process. Apart from this, their data are not diversified enough as they are mainly collected from the field of computer science. These two drawbacks of the currently available peer review datasets need to be addressed to unlock more opportunities for related studies. In response to this problem, we construct MOPRD, a multidisciplinary open peer review dataset. This dataset consists of paper metadata, multiple version manuscripts, review comments, meta-reviews, author's rebuttal letters, and editorial decisions. Moreover, we design a modular guided review comment generation method based on MOPRD. Experiments show that our method delivers better performance indicated by both automatic metrics and human evaluation. We also explore other potential applications of MOPRD, including meta-review generation, editorial decision prediction, author rebuttal generation, and scientometric analysis. MOPRD is a strong endorsement for further studies in peer review-related research and other applications.

We first prove that Littlestone classes, those which model theorists call stable, characterize learnability in a new statistical model: a learner in this new setting outputs the same hypothesis, up to measure zero, with probability one, after a uniformly bounded number of revisions. This fills a certain gap in the literature, and sets the stage for an approximation theorem characterizing Littlestone classes in terms of a range of learning models, by analogy to definability of types in model theory. We then give a complete analogue of Shelah's celebrated (and perhaps a priori untranslatable) Unstable Formula Theorem in the learning setting, with algorithmic arguments taking the place of the infinite.

Denoising diffusion models hold great promise for generating diverse and realistic human motions. However, existing motion diffusion models largely disregard the laws of physics in the diffusion process and often generate physically-implausible motions with pronounced artifacts such as floating, foot sliding, and ground penetration. This seriously impacts the quality of generated motions and limits their real-world application. To address this issue, we present a novel physics-guided motion diffusion model (PhysDiff), which incorporates physical constraints into the diffusion process. Specifically, we propose a physics-based motion projection module that uses motion imitation in a physics simulator to project the denoised motion of a diffusion step to a physically-plausible motion. The projected motion is further used in the next diffusion step to guide the denoising diffusion process. Intuitively, the use of physics in our model iteratively pulls the motion toward a physically-plausible space. Experiments on large-scale human motion datasets show that our approach achieves state-of-the-art motion quality and improves physical plausibility drastically (>78% for all datasets).

A lot of theoretical and empirical evidence shows that the flatter local minima tend to improve generalization. Adversarial Weight Perturbation (AWP) is an emerging technique to efficiently and effectively find such minima. In AWP we minimize the loss w.r.t. a bounded worst-case perturbation of the model parameters thereby favoring local minima with a small loss in a neighborhood around them. The benefits of AWP, and more generally the connections between flatness and generalization, have been extensively studied for i.i.d. data such as images. In this paper, we extensively study this phenomenon for graph data. Along the way, we first derive a generalization bound for non-i.i.d. node classification tasks. Then we identify a vanishing-gradient issue with all existing formulations of AWP and we propose a new Weighted Truncated AWP (WT-AWP) to alleviate this issue. We show that regularizing graph neural networks with WT-AWP consistently improves both natural and robust generalization across many different graph learning tasks and models.

Self-supervised learning (SSL) learns useful representations from unlabelled data by training networks to be invariant to pairs of augmented versions of the same input. Non-contrastive methods avoid collapse either by directly regularizing the covariance matrix of network outputs or through asymmetric loss architectures, two seemingly unrelated approaches. Here, by building on DirectPred, we lay out a theoretical framework that reconciles these two views. We derive analytical expressions for the representational learning dynamics in linear networks. By expressing them in the eigenspace of the embedding covariance matrix, where the solutions decouple, we reveal the mechanism and conditions that provide implicit variance regularization. These insights allow us to formulate a new isotropic loss function that equalizes eigenvalue contribution and renders learning more robust. Finally, we show empirically that our findings translate to nonlinear networks trained on CIFAR-10 and STL-10.

Large-scale data is an essential component of machine learning as demonstrated in recent advances in natural language processing and computer vision research. However, collecting large-scale robotic data is much more expensive and slower as each operator can control only a single robot at a time. To make this costly data collection process efficient and scalable, we propose Policy Assisted TeleOperation (PATO), a system which automates part of the demonstration collection process using a learned assistive policy. PATO autonomously executes repetitive behaviors in data collection and asks for human input only when it is uncertain about which subtask or behavior to execute. We conduct teleoperation user studies both with a real robot and a simulated robot fleet and demonstrate that our assisted teleoperation system reduces human operators' mental load while improving data collection efficiency. Further, it enables a single operator to control multiple robots in parallel, which is a first step towards scalable robotic data collection. For code and video results, see https://clvrai.com/pato

Given a resource-rich source graph and a resource-scarce target graph, how can we effectively transfer knowledge across graphs and ensure a good generalization performance? In many high-impact domains (e.g., brain networks and molecular graphs), collecting and annotating data is prohibitively expensive and time-consuming, which makes domain adaptation an attractive option to alleviate the label scarcity issue. In light of this, the state-of-the-art methods focus on deriving domain-invariant graph representation that minimizes the domain discrepancy. However, it has recently been shown that a small domain discrepancy loss may not always guarantee a good generalization performance, especially in the presence of disparate graph structures and label distribution shifts. In this paper, we present TRANSNET, a generic learning framework for augmenting knowledge transfer across graphs. In particular, we introduce a novel notion named trinity signal that can naturally formulate various graph signals at different granularity (e.g., node attributes, edges, and subgraphs). With that, we further propose a domain unification module together with a trinity-signal mixup scheme to jointly minimize the domain discrepancy and augment the knowledge transfer across graphs. Finally, comprehensive empirical results show that TRANSNET outperforms all existing approaches on seven benchmark datasets by a significant margin.

Spatial nonstationarity, the location variance of features' statistical distributions, is ubiquitous in many natural settings. For example, in geological reservoirs rock matrix porosity varies vertically due to geomechanical compaction trends, in mineral deposits grades vary due to sedimentation and concentration processes, in hydrology rainfall varies due to the atmosphere and topography interactions, and in metallurgy crystalline structures vary due to differential cooling. Conventional geostatistical modeling workflows rely on the assumption of stationarity to be able to model spatial features for the geostatistical inference. Nevertheless, this is often not a realistic assumption when dealing with nonstationary spatial data and this has motivated a variety of nonstationary spatial modeling workflows such as trend and residual decomposition, cosimulation with secondary features, and spatial segmentation and independent modeling over stationary subdomains. The advent of deep learning technologies has enabled new workflows for modeling spatial relationships. However, there is a paucity of demonstrated best practice and general guidance on mitigation of spatial nonstationarity with deep learning in the geospatial context. We demonstrate the impact of two common types of geostatistical spatial nonstationarity on deep learning model prediction performance and propose the mitigation of such impacts using self-attention (vision transformer) models. We demonstrate the utility of vision transformers for the mitigation of nonstationarity with relative errors as low as 10%, exceeding the performance of alternative deep learning methods such as convolutional neural networks. We establish best practice by demonstrating the ability of self-attention networks for modeling large-scale spatial relationships in the presence of commonly observed geospatial nonstationarity.

The Extremal River Problem has emerged as a flagship problem for causal discovery in extreme values of a network. The task is to recover a river network from only extreme flow measured at a set $V$ of stations, without any information on the stations' locations. We present QTree, a new simple and efficient algorithm to solve the Extremal River Problem that performs very well compared to existing methods on hydrology data and in simulations. QTree returns a root-directed tree and achieves almost perfect recovery on the Upper Danube network data, the existing benchmark data set, as well as on new data from the Lower Colorado River network in Texas. It can handle missing data, has an automated parameter tuning procedure, and runs in time $O(n |V|^2)$, where $n$ is the number of observations and $|V|$ the number of nodes in the graph. Furthermore, we prove that the QTree estimator is consistent under a Bayesian network model for extreme values with noise. We also assess the small sample behaviour of QTree through simulations and detail the strengths and possible limitations of QTree.

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and representative of a wide range of problems. We introduce PDEBench, a benchmark suite of time-dependent simulation tasks based on Partial Differential Equations (PDEs). PDEBench comprises both code and data to benchmark the performance of novel machine learning models against both classical numerical simulations and machine learning baselines. Our proposed set of benchmark problems contribute the following unique features: (1) A much wider range of PDEs compared to existing benchmarks, ranging from relatively common examples to more realistic and difficult problems; (2) much larger ready-to-use datasets compared to prior work, comprising multiple simulation runs across a larger number of initial and boundary conditions and PDE parameters; (3) more extensible source codes with user-friendly APIs for data generation and baseline results with popular machine learning models (FNO, U-Net, PINN, Gradient-Based Inverse Method). PDEBench allows researchers to extend the benchmark freely for their own purposes using a standardized API and to compare the performance of new models to existing baseline methods. We also propose new evaluation metrics with the aim to provide a more holistic understanding of learning methods in the context of Scientific ML. With those metrics we identify tasks which are challenging for recent ML methods and propose these tasks as future challenges for the community. The code is available at https://github.com/pdebench/PDEBench.

Numerical simulations are ubiquitous in science and engineering. Machine learning for science investigates how artificial neural architectures can learn from these simulations to speed up scientific discovery and engineering processes. Most of these architectures are trained in a supervised manner. They require tremendous amounts of data from simulations that are slow to generate and memory greedy. In this article, we present our ongoing work to design a training framework that alleviates those bottlenecks. It generates data in parallel with the training process. Such simultaneity induces a bias in the data available during the training. We present a strategy to mitigate this bias with a memory buffer. We test our framework on the multi-parametric Lorenz's attractor. We show the benefit of our framework compared to offline training and the success of our data bias mitigation strategy to capture the complex chaotic dynamics of the system.

A main research goal in various studies is to use an observational data set and provide a new set of counterfactual guidelines that can yield causal improvements. Dynamic Treatment Regimes (DTRs) are widely studied to formalize this process. However, available methods in finding optimal DTRs often rely on assumptions that are violated in real-world applications (e.g., medical decision-making or public policy), especially when (a) the existence of unobserved confounders cannot be ignored, and (b) the unobserved confounders are time-varying (e.g., affected by previous actions). When such assumptions are violated, one often faces ambiguity regarding the underlying causal model. This ambiguity is inevitable, since the dynamics of unobserved confounders and their causal impact on the observed part of the data cannot be understood from the observed data. Motivated by a case study of finding superior treatment regimes for patients who underwent transplantation in our partner hospital and faced a medical condition known as New Onset Diabetes After Transplantation (NODAT), we extend DTRs to a new class termed Ambiguous Dynamic Treatment Regimes (ADTRs), in which the causal impact of treatment regimes is evaluated based on a "cloud" of causal models. We then connect ADTRs to Ambiguous Partially Observable Mark Decision Processes (APOMDPs) and develop Reinforcement Learning methods, which enable using the observed data to efficiently learn an optimal treatment regime. We establish theoretical results for these learning methods, including (weak) consistency and asymptotic normality. We further evaluate the performance of these learning methods both in our case study and in simulation experiments.

This paper proposes a novel kernel-based optimization scheme to handle tasks in the analysis, e.g., signal spectral estimation and single-channel source separation of 1D non-stationary oscillatory data. The key insight of our optimization scheme for reconstructing the time-frequency information is that when a nonparametric regression is applied on some input values, the output regressed points would lie near the oscillatory pattern of the oscillatory 1D signal only if these input values are a good approximation of the ground-truth phase function. In this work, Gaussian Process (GP) is chosen to conduct this nonparametric regression: the oscillatory pattern is encoded as the Pattern-inducing Points (PiPs) which act as the training data points in the GP regression; while the targeted phase function is fed in to compute the correlation kernels, acting as the testing input. Better approximated phase function generates more precise kernels, thus resulting in smaller optimization loss error when comparing the kernel-based regression output with the original signals. To the best of our knowledge, this is the first algorithm that can satisfactorily handle fully non-stationary oscillatory data, close and crossover frequencies, and general oscillatory patterns. Even in the example of a signal {produced by slow variation in the parameters of a trigonometric expansion}, we show that PiPs admits competitive or better performance in terms of accuracy and robustness than existing state-of-the-art algorithms.

As a successful approach to self-supervised learning, contrastive learning aims to learn invariant information shared among distortions of the input sample. While contrastive learning has yielded continuous advancements in sampling strategy and architecture design, it still remains two persistent defects: the interference of task-irrelevant information and sample inefficiency, which are related to the recurring existence of trivial constant solutions. From the perspective of dimensional analysis, we find out that the dimensional redundancy and dimensional confounder are the intrinsic issues behind the phenomena, and provide experimental evidence to support our viewpoint. We further propose a simple yet effective approach MetaMask, short for the dimensional Mask learned by Meta-learning, to learn representations against dimensional redundancy and confounder. MetaMask adopts the redundancy-reduction technique to tackle the dimensional redundancy issue and innovatively introduces a dimensional mask to reduce the gradient effects of specific dimensions containing the confounder, which is trained by employing a meta-learning paradigm with the objective of improving the performance of masked representations on a typical self-supervised task. We provide solid theoretical analyses to prove MetaMask can obtain tighter risk bounds for downstream classification compared to typical contrastive methods. Empirically, our method achieves state-of-the-art performance on various benchmarks.

Motivated by personalized healthcare and other applications involving sensitive data, we study online exploration in reinforcement learning with differential privacy (DP) constraints. Existing work on this problem established that no-regret learning is possible under joint differential privacy (JDP) and local differential privacy (LDP) but did not provide an algorithm with optimal regret. We close this gap for the JDP case by designing an $\epsilon$-JDP algorithm with a regret of $\widetilde{O}(\sqrt{SAH^2T}+S^2AH^3/\epsilon)$ which matches the information-theoretic lower bound of non-private learning for all choices of $\epsilon> S^{1.5}A^{0.5} H^2/\sqrt{T}$. In the above, $S$, $A$ denote the number of states and actions, $H$ denotes the planning horizon, and $T$ is the number of steps. To the best of our knowledge, this is the first private RL algorithm that achieves \emph{privacy for free} asymptotically as $T\rightarrow \infty$. Our techniques -- which could be of independent interest -- include privately releasing Bernstein-type exploration bonuses and an improved method for releasing visitation statistics. The same techniques also imply a slightly improved regret bound for the LDP case.

Solving partial differential equations is difficult. Recently proposed neural resolution-invariant models, despite their effectiveness and efficiency, usually require equispaced spatial points of data. However, sampling in spatial domain is sometimes inevitably non-equispaced in real-world systems, limiting their applicability. In this paper, we propose a Non-equispaced Fourier PDE Solver (\textsc{NFS}) with adaptive interpolation on resampled equispaced points and a variant of Fourier Neural Operators as its components. Experimental results on complex PDEs demonstrate its advantages in accuracy and efficiency. Compared with the spatially-equispaced benchmark methods, it achieves superior performance with $42.85\%$ improvements on MAE, and is able to handle non-equispaced data with a tiny loss of accuracy. Besides, to our best knowledge, \textsc{NFS} is the first ML-based method with mesh invariant inference ability to successfully model turbulent flows in non-equispaced scenarios, with a minor deviation of the error on unseen spatial points.

Electricity prices in liberalized markets are determined by the supply and demand for electric power, which are in turn driven by various external influences that vary strongly in time. In perfect competition, the merit order principle describes that dispatchable power plants enter the market in the order of their marginal costs to meet the residual load, i.e. the difference of load and renewable generation. Many market models implement this principle to predict electricity prices but typically require certain assumptions and simplifications. In this article, we present an explainable machine learning model for the prices on the German day-ahead market, which substantially outperforms a benchmark model based on the merit order principle. Our model is designed for the ex-post analysis of prices and thus builds on various external features. Using Shapley Additive exPlanation (SHAP) values, we can disentangle the role of the different features and quantify their importance from empiric data. Load, wind and solar generation are most important, as expected, but wind power appears to affect prices stronger than solar power does. Fuel prices also rank highly and show nontrivial dependencies, including strong interactions with other features revealed by a SHAP interaction analysis. Large generation ramps are correlated with high prices, again with strong feature interactions, due to the limited flexibility of nuclear and lignite plants. Our results further contribute to model development by providing quantitative insights directly from data.

Complementary recommendation gains increasing attention in e-commerce since it expedites the process of finding frequently-bought-with products for users in their shopping journey. Therefore, learning the product representation that can reflect this complementary relationship plays a central role in modern recommender systems. In this work, we propose a logical reasoning network, LOGIREC, to effectively learn embeddings of products as well as various transformations (projection, intersection, negation) between them. LOGIREC is capable of capturing the asymmetric complementary relationship between products and seamlessly extending to high-order recommendations where more comprehensive and meaningful complementary relationship is learned for a query set of products. Finally, we further propose a hybrid network that is jointly optimized for learning a more generic product representation. We demonstrate the effectiveness of our LOGIREC on multiple public real-world datasets in terms of various ranking-based metrics under both low-order and high-order recommendation scenarios.

Single-channel deep speech enhancement approaches often estimate a single multiplicative mask to extract clean speech without a measure of its accuracy. Instead, in this work, we propose to quantify the uncertainty associated with clean speech estimates in neural network-based speech enhancement. Predictive uncertainty is typically categorized into aleatoric uncertainty and epistemic uncertainty. The former accounts for the inherent uncertainty in data and the latter corresponds to the model uncertainty. Aiming for robust clean speech estimation and efficient predictive uncertainty quantification, we propose to integrate statistical complex Gaussian mixture models (CGMMs) into a deep speech enhancement framework. More specifically, we model the dependency between input and output stochastically by means of a conditional probability density and train a neural network to map the noisy input to the full posterior distribution of clean speech, modeled as a mixture of multiple complex Gaussian components. Experimental results on different datasets show that the proposed algorithm effectively captures predictive uncertainty and that combining powerful statistical models and deep learning also delivers a superior speech enhancement performance.

Many practical applications, such as recommender systems and learning to rank, involve solving multiple similar tasks. One example is learning of recommendation policies for users with similar movie preferences, where the users may still rank the individual movies slightly differently. Such tasks can be organized in a hierarchy, where similar tasks are related through a shared structure. In this work, we formulate this problem as a contextual off-policy optimization in a hierarchical graphical model from logged bandit feedback. To solve the problem, we propose a hierarchical off-policy optimization algorithm (HierOPO), which estimates the parameters of the hierarchical model and then acts pessimistically with respect to them. We instantiate HierOPO in linear Gaussian models, for which we also provide an efficient implementation and analysis. We prove per-task bounds on the suboptimality of the learned policies, which show a clear improvement over not using the hierarchical model. We also evaluate the policies empirically. Our theoretical and empirical results show a clear advantage of using the hierarchy over solving each task independently.

We propose Medical Entity Definition-based Sentence Embedding (MED-SE), a novel unsupervised contrastive learning framework designed for clinical texts, which exploits the definitions of medical entities. To this end, we conduct an extensive analysis of multiple sentence embedding techniques in clinical semantic textual similarity (STS) settings. In the entity-centric setting that we have designed, MED-SE achieves significantly better performance, while the existing unsupervised methods including SimCSE show degraded performance. Our experiments elucidate the inherent discrepancies between the general- and clinical-domain texts, and suggest that entity-centric contrastive approaches may help bridge this gap and lead to a better representation of clinical sentences.

In this paper, we introduce PDE-LEARN, a novel PDE discovery algorithm that can identify governing partial differential equations (PDEs) directly from noisy, limited measurements of a physical system of interest. PDE-LEARN uses a Rational Neural Network, $U$, to approximate the system response function and a sparse, trainable vector, $\xi$, to characterize the hidden PDE that the system response function satisfies. Our approach couples the training of $U$ and $\xi$ using a loss function that (1) makes $U$ approximate the system response function, (2) encapsulates the fact that $U$ satisfies a hidden PDE that $\xi$ characterizes, and (3) promotes sparsity in $\xi$ using ideas from iteratively reweighted least-squares. Further, PDE-LEARN can simultaneously learn from several data sets, allowing it to incorporate results from multiple experiments. This approach yields a robust algorithm to discover PDEs directly from realistic scientific data. We demonstrate the efficacy of PDE-LEARN by identifying several PDEs from noisy and limited measurements.

Artificial intelligence has made great progress in medical data analysis, but the lack of robustness and trustworthiness has kept these methods from being widely deployed. As it is not possible to train networks that are accurate in all situations, models must recognize situations where they cannot operate confidently. Bayesian deep learning methods sample the model parameter space to estimate uncertainty, but these parameters are often subject to the same vulnerabilities, which can be exploited by adversarial attacks. We propose a novel ensemble approach based on feature decorrelation and Fourier partitioning for teaching networks diverse complementary features, reducing the chance of perturbation-based fooling. We test our approach on electrocardiogram classification, demonstrating superior accuracy confidence measurement, on a variety of adversarial attacks. For example, on our ensemble trained with both decorrelation and Fourier partitioning scored a 50.18% inference accuracy and 48.01% uncertainty accuracy (area under the curve) on {\epsilon} = 50 projected gradient descent attacks, while a conventionally trained ensemble scored 21.1% and 30.31% on these metrics respectively. Our approach does not require expensive optimization with adversarial samples and can be scaled to large problems. These methods can easily be applied to other tasks for more robust and trustworthy models.

Neural networks have revolutionized the area of artificial intelligence and introduced transformative applications to almost every scientific field and industry. However, this success comes at a great price; the energy requirements for training advanced models are unsustainable. One promising way to address this pressing issue is by developing low-energy neuromorphic hardware that directly supports the algorithm's requirements. The intrinsic non-volatility, non-linearity, and memory of spintronic devices make them appealing candidates for neuromorphic devices. Here we focus on the reservoir computing paradigm, a recurrent network with a simple training algorithm suitable for computation with spintronic devices since they can provide the properties of non-linearity and memory. We review technologies and methods for developing neuromorphic spintronic devices and conclude with critical open issues to address before such devices become widely used.

Safety certification of data-driven control techniques remains a major open problem. This work investigates backward reachability as a framework for providing collision avoidance guarantees for systems controlled by neural network (NN) policies. Because NNs are typically not invertible, existing methods conservatively assume a domain over which to relax the NN, which causes loose over-approximations of the set of states that could lead the system into the obstacle (i.e., backprojection (BP) sets). To address this issue, we introduce DRIP, an algorithm with a refinement loop on the relaxation domain, which substantially tightens the BP set bounds. Furthermore, we introduce a formulation that enables directly obtaining closed-form representations of polytopes to bound the BP sets tighter than prior work, which required solving linear programs and using hyper-rectangles. Furthermore, this work extends the NN relaxation algorithm to handle polytope domains, which further tightens the bounds on BP sets. DRIP is demonstrated in numerical experiments on control systems, including a ground robot controlled by a learned NN obstacle avoidance policy.

Recent studies have found that pain in infancy has a significant impact on infant development, including psychological problems, possible brain injury, and pain sensitivity in adulthood. However, due to the lack of specialists and the fact that infants are unable to express verbally their experience of pain, it is difficult to assess infant pain. Most existing infant pain assessment systems directly apply adult methods to infants ignoring the differences between infant expressions and adult expressions. Meanwhile, as the study of facial action coding system continues to advance, the use of action units (AUs) opens up new possibilities for expression recognition and pain assessment. In this paper, a novel AuE-IPA method is proposed for assessing infant pain by leveraging different engagement levels of AUs. First, different engagement levels of AUs in infant pain are revealed, by analyzing the class activation map of an end-to-end pain assessment model. The intensities of top-engaged AUs are then used in a regression model for achieving automatic infant pain assessment. The model proposed is trained and experimented on YouTube Immunization dataset, YouTube Blood Test dataset, and iCOPEVid dataset. The experimental results show that our AuE-IPA method is more applicable to infants and possesses stronger generalization ability than end-to-end assessment model and the classic PSPI metric.

As causal inference becomes more widespread the importance of having good tools to test for causal effects increases. In this work we focus on the problem of testing for causal effects that manifest in a difference in distribution for treatment and control. We build on work applying kernel methods to causality, considering the previously introduced Counterfactual Mean Embedding framework (\textsc{CfME}). We improve on this by proposing the \emph{Doubly Robust Counterfactual Mean Embedding} (\textsc{DR-CfME}), which has better theoretical properties than its predecessor by leveraging semiparametric theory. This leads us to propose new kernel based test statistics for distributional effects which are based upon doubly robust estimators of treatment effects. We propose two test statistics, one which is a direct improvement on previous work and one which can be applied even when the support of the treatment arm is a subset of that of the control arm. We demonstrate the validity of our methods on simulated and real-world data, as well as giving an application in off-policy evaluation.

We discuss pattern languages for closed pattern mining and learning of interval data and distributional data. We first introduce pattern languages relying on pairs of intersection-based constraints or pairs of inclusion based constraints, or both, applied to intervals. We discuss the encoding of such interval patterns as itemsets thus allowing to use closed itemsets mining and formal concept analysis programs. We experiment these languages on clustering and supervised learning tasks. Then we show how to extend the approach to address distributional data.

Reliable uncertainty quantification in deep neural networks is very crucial in safety-critical applications such as automated driving for trustworthy and informed decision-making. Assessing the quality of uncertainty estimates is challenging as ground truth for uncertainty estimates is not available. Ideally, in a well-calibrated model, uncertainty estimates should perfectly correlate with model error. We propose a novel error aligned uncertainty optimization method and introduce a trainable loss function to guide the models to yield good quality uncertainty estimates aligning with the model error. Our approach targets continuous structured prediction and regression tasks, and is evaluated on multiple datasets including a large-scale vehicle motion prediction task involving real-world distributional shifts. We demonstrate that our method improves average displacement error by 1.69% and 4.69%, and the uncertainty correlation with model error by 17.22% and 19.13% as quantified by Pearson correlation coefficient on two state-of-the-art baselines.

Monumental advancements in artificial intelligence (AI) have lured the interest of doctors, lenders, judges, and other professionals. While these high-stakes decision-makers are optimistic about the technology, those familiar with AI systems are wary about the lack of transparency of its decision-making processes. Perturbation-based post hoc explainers offer a model agnostic means of interpreting these systems while only requiring query-level access. However, recent work demonstrates that these explainers can be fooled adversarially. This discovery has adverse implications for auditors, regulators, and other sentinels. With this in mind, several natural questions arise - how can we audit these black box systems? And how can we ascertain that the auditee is complying with the audit in good faith? In this work, we rigorously formalize this problem and devise a defense against adversarial attacks on perturbation-based explainers. We propose algorithms for the detection (CAD-Detect) and defense (CAD-Defend) of these attacks, which are aided by our novel conditional anomaly detection approach, KNN-CAD. We demonstrate that our approach successfully detects whether a black box system adversarially conceals its decision-making process and mitigates the adversarial attack on real-world data for the prevalent explainers, LIME and SHAP.

Cardiac resynchronization therapy (CRT) is a treatment that is used to compensate for irregularities in the heartbeat. Studies have shown that this treatment is more effective in heart patients with left bundle branch block (LBBB) arrhythmia. Therefore, identifying this arrhythmia is an important initial step in determining whether or not to use CRT. On the other hand, traditional methods for detecting LBBB on electrocardiograms (ECG) are often associated with errors. Thus, there is a need for an accurate method to diagnose this arrhythmia from ECG data. Machine learning, as a new field of study, has helped to increase human systems' performance. Deep learning, as a newer subfield of machine learning, has more power to analyze data and increase systems accuracy. This study presents a deep learning model for the detection of LBBB arrhythmia from 12-lead ECG data. This model consists of 1D dilated convolutional layers. Attention mechanism has also been used to identify important input data features and classify inputs more accurately. The proposed model is trained and validated on a database containing 10344 12-lead ECG samples using the 10-fold cross-validation method. The final results obtained by the model on the 12-lead ECG data are as follows. Accuracy: 98.80+-0.08%, specificity: 99.33+-0.11 %, F1 score: 73.97+-1.8%, and area under the receiver operating characteristics curve (AUC): 0.875+-0.0192. These results indicate that the proposed model in this study can effectively diagnose LBBB with good efficiency and, if used in medical centers, will greatly help diagnose this arrhythmia and early treatment.

California's Central Valley is the national agricultural center, producing 1/4 of the nation's food. However, land in the Central Valley is sinking at a rapid rate (as much as 20 cm per year) due to continued groundwater pumping. Land subsidence has a significant impact on infrastructure resilience and groundwater sustainability. In this study, we aim to identify specific regions with different temporal dynamics of land displacement and find relationships with underlying geological composition. Then, we aim to remotely estimate geologic composition using interferometric synthetic aperture radar (InSAR)-based land deformation temporal changes using machine learning techniques. We identified regions with different temporal characteristics of land displacement in that some areas (e.g., Helm) with coarser grain geologic compositions exhibited potentially reversible land deformation (elastic land compaction). We found a significant correlation between InSAR-based land deformation and geologic composition using random forest and deep neural network regression models. We also achieved significant accuracy with 1/4 sparse sampling to reduce any spatial correlations among data, suggesting that the model has the potential to be generalized to other regions for indirect estimation of geologic composition. Our results indicate that geologic composition can be estimated using InSAR-based land deformation data. In-situ measurements of geologic composition can be expensive and time consuming and may be impractical in some areas. The generalizability of the model sheds light on high spatial resolution geologic composition estimation utilizing existing measurements.

Emerging applications such as Deep Learning are often data-driven, thus traditional approaches based on auto-tuners are not performance effective across the wide range of inputs used in practice. In the present paper, we start an investigation of predictive models based on machine learning techniques in order to optimize Convolution Neural Networks (CNNs). As a use-case, we focus on the ARM Compute Library which provides three different implementations of the convolution operator at different numeric precision. Starting from a collation of benchmarks, we build and validate models learned by Decision Tree and naive Bayesian classifier. Preliminary experiments on Midgard-based ARM Mali GPU show that our predictive model outperforms all the convolution operators manually selected by the library.

Zero-shot quantization is a promising approach for developing lightweight deep neural networks when data is inaccessible owing to various reasons, including cost and issues related to privacy. By utilizing the learned parameters (statistics) of FP32-pre-trained models, zero-shot quantization schemes focus on generating synthetic data by minimizing the distance between the learned parameters ($\mu$ and $\sigma$) and distributions of intermediate activations. Subsequently, they distill knowledge from the pre-trained model (\textit{teacher}) to the quantized model (\textit{student}) such that the quantized model can be optimized with the synthetic dataset. In general, zero-shot quantization comprises two major elements: synthesizing datasets and quantizing models. However, thus far, zero-shot quantization has primarily been discussed in the context of quantization-aware training methods, which require task-specific losses and long-term optimization as much as retraining. We thus introduce a post-training quantization scheme for zero-shot quantization that produces high-quality quantized networks within a few hours on even half an hour. Furthermore, we propose a framework called \genie~that generates data suited for post-training quantization. With the data synthesized by \genie, we can produce high-quality quantized models without real datasets, which is comparable to few-shot quantization. We also propose a post-training quantization algorithm to enhance the performance of quantized models. By combining them, we can bridge the gap between zero-shot and few-shot quantization while significantly improving the quantization performance compared to that of existing approaches. In other words, we can obtain a unique state-of-the-art zero-shot quantization approach.

Efficient and accurate detection of subtle motion generated from small objects in noisy environments, as needed for vital sign monitoring, is challenging, but can be substantially improved with magnification. We developed a complex Gabor filter-based decomposition method to amplify phases at different spatial wavelength levels to magnify motion and extract 1D motion signals for fundamental frequency estimation. The phase-based complex Gabor filter outputs are processed and then used to train machine learning models that predict respiration and heart rate with greater accuracy. We show that our proposed technique performs better than the conventional temporal FFT-based method in clinical settings, such as sleep laboratories and emergency departments, as well for a variety of human postures.

On general regular simplicial partitions $\mathcal{T}$ of bounded polytopal domains $\Omega \subset \mathbb{R}^d$, $d\in\{2,3\}$, we construct \emph{exact neural network (NN) emulations} of all lowest order finite element spaces in the discrete de Rham complex. These include the spaces of piecewise constant functions, continuous piecewise linear (CPwL) functions, the classical ``Raviart-Thomas element'', and the ``N\'{e}d\'{e}lec edge element''. For all but the CPwL case, our network architectures employ both ReLU (rectified linear unit) and BiSU (binary step unit) activations to capture discontinuities. In the important case of CPwL functions, we prove that it suffices to work with pure ReLU nets. Our construction and DNN architecture generalizes previous results in that no geometric restrictions on the regular simplicial partitions $\mathcal{T}$ of $\Omega$ are required for DNN emulation. In addition, for CPwL functions our DNN construction is valid in any dimension $d\geq 2$. Our ``FE-Nets'' are required in the variationally correct, structure-preserving approximation of boundary value problems of electromagnetism in nonconvex polyhedra $\Omega \subset \mathbb{R}^3$. They are thus an essential ingredient in the application of e.g., the methodology of ``physics-informed NNs'' or ``deep Ritz methods'' to electromagnetic field simulation via deep learning techniques. We indicate generalizations of our constructions to higher-order compatible spaces and other, non-compatible classes of discretizations, in particular the ``Crouzeix-Raviart'' elements and Hybridized, Higher Order (HHO) methods.

Nonconvex minimax problems have attracted wide attention in machine learning, signal processing and many other fields in recent years. In this paper, we propose a primal dual alternating proximal gradient (PDAPG) algorithm and a primal dual proximal gradient (PDPG-L) algorithm for solving nonsmooth nonconvex-strongly concave and nonconvex-linear minimax problems with coupled linear constraints, respectively. The corresponding iteration complexity of the two algorithms are proved to be $\mathcal{O}\left( \varepsilon ^{-2} \right)$ and $\mathcal{O}\left( \varepsilon ^{-3} \right)$ to reach an $\varepsilon$-stationary point, respectively. To our knowledge, they are the first two algorithms with iteration complexity guarantee for solving the two classes of minimax problems.

Fingerprints are key tools in climate change detection and attribution (D&A) that are used to determine whether changes in observations are different from internal climate variability (detection), and whether observed changes can be assigned to specific external drivers (attribution). We propose a direct D&A approach based on supervised learning to extract fingerprints that lead to robust predictions under relevant interventions on exogenous variables, i.e., climate drivers other than the target. We employ anchor regression, a distributionally-robust statistical learning method inspired by causal inference that extrapolates well to perturbed data under the interventions considered. The residuals from the prediction achieve either uncorrelatedness or mean independence with the exogenous variables, thus guaranteeing robustness. We define D&A as a unified hypothesis testing framework that relies on the same statistical model but uses different targets and test statistics. In the experiments, we first show that the CO2 forcing can be robustly predicted from temperature spatial patterns under strong interventions on the solar forcing. Second, we illustrate attribution to the greenhouse gases and aerosols while protecting against interventions on the aerosols and CO2 forcing, respectively. Our study shows that incorporating robustness constraints against relevant interventions may significantly benefit detection and attribution of climate change.

This paper describes a prototype software and hardware platform to provide support to field operators during the inspection of surface defects of non-metallic pipes. Inspection is carried out by video filming defects created on the same surface in real-time using a "smart" helmet device and other mobile devices. The work focuses on the detection and recognition of the defects which appears as colored iridescence of reflected light caused by the diffraction effect arising from the presence of internal stresses in the inspected material. The platform allows you to carry out preliminary analysis directly on the device in offline mode, and, if a connection to the network is established, the received data is transmitted to the server for post-processing to extract information about possible defects that were not detected at the previous stage. The paper presents a description of the stages of design, formal description, and implementation details of the platform. It also provides descriptions of the models used to recognize defects and examples of the result of the work.

Recently, Robey et al. propose a notion of probabilistic robustness, which, at a high-level, requires a classifier to be robust to most but not all perturbations. They show that for certain hypothesis classes where proper learning under worst-case robustness is \textit{not} possible, proper learning under probabilistic robustness \textit{is} possible with sample complexity exponentially smaller than in the worst-case robustness setting. This motivates the question of whether proper learning under probabilistic robustness is always possible. In this paper, we show that this is \textit{not} the case. We exhibit examples of hypothesis classes $\mathcal{H}$ with finite VC dimension that are \textit{not} probabilistically robustly PAC learnable with \textit{any} proper learning rule. However, if we compare the output of the learner to the best hypothesis for a slightly \textit{stronger} level of probabilistic robustness, we show that not only is proper learning \textit{always} possible, but it is possible via empirical risk minimization.

Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.

Hopfield networks and Boltzmann machines (BMs) are fundamental energy-based neural network models. Recent studies on modern Hopfield networks have broaden the class of energy functions and led to a unified perspective on general Hopfield networks including an attention module. In this letter, we consider the BM counterparts of modern Hopfield networks using the associated energy functions, and study their salient properties from a trainability perspective. In particular, the energy function corresponding to the attention module naturally introduces a novel BM, which we refer to as attentional BM (AttnBM). We verify that AttnBM has a tractable likelihood function and gradient for a special case and is easy to train. Moreover, we reveal the hidden connections between AttnBM and some single-layer models, namely the Gaussian--Bernoulli restricted BM and denoising autoencoder with softmax units. We also investigate BMs introduced by other energy functions, and in particular, observe that the energy function of dense associative memory models gives BMs belonging to Exponential Family Harmoniums.

Context: Machine learning (ML) may enable effective automated test generation. Objective: We characterize emerging research, examining testing practices, researcher goals, ML techniques applied, evaluation, and challenges. Methods: We perform a systematic mapping on a sample of 102 publications. Results: ML generates input for system, GUI, unit, performance, and combinatorial testing or improves the performance of existing generation methods. ML is also used to generate test verdicts, property-based, and expected output oracles. Supervised learning - often based on neural networks - and reinforcement learning - often based on Q-learning - are common, and some publications also employ unsupervised or semi-supervised learning. (Semi-/Un-)Supervised approaches are evaluated using both traditional testing metrics and ML-related metrics (e.g., accuracy), while reinforcement learning is often evaluated using testing metrics tied to the reward function. Conclusion: Work-to-date shows great promise, but there are open challenges regarding training data, retraining, scalability, evaluation complexity, ML algorithms employed - and how they are applied - benchmarks, and replicability. Our findings can serve as a roadmap and inspiration for researchers in this field.

In this work, we demonstrate the offline FPGA realization of both recurrent and feedforward neural network (NN)-based equalizers for nonlinearity compensation in coherent optical transmission systems. First, we present a realization pipeline showing the conversion of the models from Python libraries to the FPGA chip synthesis and implementation. Then, we review the main alternatives for the hardware implementation of nonlinear activation functions. The main results are divided into three parts: a performance comparison, an analysis of how activation functions are implemented, and a report on the complexity of the hardware. The performance in Q-factor is presented for the cases of bidirectional long-short-term memory coupled with convolutional NN (biLSTM + CNN) equalizer, CNN equalizer, and standard 1-StpS digital back-propagation (DBP) for the simulation and experiment propagation of a single channel dual-polarization (SC-DP) 16QAM at 34 GBd along 17x70km of LEAF. The biLSTM+CNN equalizer provides a similar result to DBP and a 1.7 dB Q-factor gain compared with the chromatic dispersion compensation baseline in the experimental dataset. After that, we assess the Q-factor and the impact of hardware utilization when approximating the activation functions of NN using Taylor series, piecewise linear, and look-up table (LUT) approximations. We also show how to mitigate the approximation errors with extra training and provide some insights into possible gradient problems in the LUT approximation. Finally, to evaluate the complexity of hardware implementation to achieve 400G throughput, fixed-point NN-based equalizers with approximated activation functions are developed and implemented in an FPGA.

Inferring reward functions from human behavior is at the center of value alignment - aligning AI objectives with what we, humans, actually want. But doing so relies on models of how humans behave given their objectives. After decades of research in cognitive science, neuroscience, and behavioral economics, obtaining accurate human models remains an open research topic. This begs the question: how accurate do these models need to be in order for the reward inference to be accurate? On the one hand, if small errors in the model can lead to catastrophic error in inference, the entire framework of reward learning seems ill-fated, as we will never have perfect models of human behavior. On the other hand, if as our models improve, we can have a guarantee that reward accuracy also improves, this would show the benefit of more work on the modeling side. We study this question both theoretically and empirically. We do show that it is unfortunately possible to construct small adversarial biases in behavior that lead to arbitrarily large errors in the inferred reward. However, and arguably more importantly, we are also able to identify reasonable assumptions under which the reward inference error can be bounded linearly in the error in the human model. Finally, we verify our theoretical insights in discrete and continuous control tasks with simulated and human data.  ( 2 min )

Offline reinforcement learning (RL) promises the ability to learn effective policies solely using existing, static datasets, without any costly online interaction. To do so, offline RL methods must handle distributional shift between the dataset and the learned policy. The most common approach is to learn conservative, or lower-bound, value functions, which underestimate the return of out-of-distribution (OOD) actions. However, such methods exhibit one notable drawback: policies optimized on such value functions can only behave according to a fixed, possibly suboptimal, degree of conservatism. However, this can be alleviated if we instead are able to learn policies for varying degrees of conservatism at training time and devise a method to dynamically choose one of them during evaluation. To do so, in this work, we propose learning value functions that additionally condition on the degree of conservatism, which we dub confidence-conditioned value functions. We derive a new form of a Bellman backup that simultaneously learns Q-values for any degree of confidence with high probability. By conditioning on confidence, our value functions enable adaptive strategies during online evaluation by controlling for confidence level using the history of observations thus far. This approach can be implemented in practice by conditioning the Q-function from existing conservative algorithms on the confidence. We theoretically show that our learned value functions produce conservative estimates of the true value at any desired confidence. Finally, we empirically show that our algorithm outperforms existing conservative offline RL algorithms on multiple discrete control domains.

A central problem in computational biophysics is protein structure prediction, i.e., finding the optimal folding of a given amino acid sequence. This problem has been studied in a classical abstract model, the HP model, where the protein is modeled as a sequence of H (hydrophobic) and P (polar) amino acids on a lattice. The objective is to find conformations maximizing H-H contacts. It is known that even in this reduced setting, the problem is intractable (NP-hard). In this work, we apply deep reinforcement learning (DRL) to the two-dimensional HP model. We can obtain the conformations of best known energies for benchmark HP sequences with lengths from 20 to 50. Our DRL is based on a deep Q-network (DQN). We find that a DQN based on long short-term memory (LSTM) architecture greatly enhances the RL learning ability and significantly improves the search process. DRL can sample the state space efficiently, without the need of manual heuristics. Experimentally we show that it can find multiple distinct best-known solutions per trial. This study demonstrates the effectiveness of deep reinforcement learning in the HP model for protein folding.

With the progress of sensor technology in wearables, the collection and analysis of PPG signals are gaining more interest. Using Machine Learning, the cardiac rhythm corresponding to PPG signals can be used to predict different tasks such as activity recognition, sleep stage detection, or more general health status. However, supervised learning is often limited by the amount of available labeled data, which is typically expensive to obtain. To address this problem, we propose a Self-Supervised Learning (SSL) method with a pretext task of signal reconstruction to learn an informative generalized PPG representation. The performance of the proposed SSL framework is compared with two fully supervised baselines. The results show that in a very limited label data setting (10 samples per class or less), using SSL is beneficial, and a simple classifier trained on SSL-learned representations outperforms fully supervised deep neural networks. However, the results reveal that the SSL-learned representations are too focused on encoding the subjects. Unfortunately, there is high inter-subject variability in the SSL-learned representations, which makes working with this data more challenging when labeled data is scarce. The high inter-subject variability suggests that there is still room for improvements in learning representations. In general, the results suggest that SSL may pave the way for the broader use of machine learning models on PPG data in label-scarce regimes.  ( 2 min )

Adversarial training is widely used to improve the robustness of deep neural networks to adversarial attack. However, adversarial training is prone to overfitting, and the cause is far from clear. This work sheds light on the mechanisms underlying overfitting through analyzing the loss landscape w.r.t. the input. We find that robust overfitting results from standard training, specifically the minimization of the clean loss, and can be mitigated by regularization of the loss gradients. Moreover, we find that robust overfitting turns severer during adversarial training partially because the gradient regularization effect of adversarial training becomes weaker due to the increase in the loss landscapes curvature. To improve robust generalization, we propose a new regularizer to smooth the loss landscape by penalizing the weighted logits variation along the adversarial direction. Our method significantly mitigates robust overfitting and achieves the highest robustness and efficiency compared to similar previous methods. Code is available at https://github.com/TreeLLi/Combating-RO-AdvLC.  ( 2 min )

The classification of sleep stages plays a crucial role in understanding and diagnosing sleep pathophysiology. Sleep stage scoring relies heavily on visual inspection by an expert that is time consuming and subjective procedure. Recently, deep learning neural network approaches have been leveraged to develop a generalized automated sleep staging and account for shifts in distributions that may be caused by inherent inter/intra-subject variability, heterogeneity across datasets, and different recording environments. However, these networks ignore the connections among brain regions, and disregard the sequential connections between temporally adjacent sleep epochs. To address these issues, this work proposes an adaptive product graph learning-based graph convolutional network, named ProductGraphSleepNet, for learning joint spatio-temporal graphs along with a bidirectional gated recurrent unit and a modified graph attention network to capture the attentive dynamics of sleep stage transitions. Evaluation on two public databases: the Montreal Archive of Sleep Studies (MASS) SS3; and the SleepEDF, which contain full night polysomnography recordings of 62 and 20 healthy subjects, respectively, demonstrates performance comparable to the state-of-the-art (Accuracy: 0.867;0.838, F1-score: 0.818;0.774 and Kappa: 0.802;0.775, on each database respectively). More importantly, the proposed network makes it possible for clinicians to comprehend and interpret the learned connectivity graphs for sleep stages.  ( 2 min )

Classical graph algorithms work well for combinatorial problems that can be thoroughly formalized and abstracted. Once the algorithm is derived, it generalizes to instances of any size. However, developing an algorithm that handles complex structures and interactions in the real world can be challenging. Rather than specifying the algorithm, we can try to learn it from the graph-structured data. Graph Neural Networks (GNNs) are inherently capable of working on graph structures; however, they struggle to generalize well, and learning on larger instances is challenging. In order to scale, we focus on a recurrent architecture design that can learn simple graph problems end to end on smaller graphs and then extrapolate to larger instances. As our main contribution, we identify three essential techniques for recurrent GNNs to scale. By using (i) skip connections, (ii) state regularization, and (iii) edge convolutions, we can guide GNNs toward extrapolation. This allows us to train on small graphs and apply the same model to much larger graphs during inference. Moreover, we empirically validate the extrapolation capabilities of our GNNs on algorithmic datasets.  ( 2 min )

Benchmark performance of deep learning classifiers alone is not a reliable predictor for the performance of a deployed model. In particular, if the image classifier has picked up spurious features in the training data, its predictions can fail in unexpected ways. In this paper, we develop a framework that allows us to systematically identify spurious features in large datasets like ImageNet. It is based on our neural PCA components and their visualization. Previous work on spurious features of image classifiers often operates in toy settings or requires costly pixel-wise annotations. In contrast, we validate our results by checking that presence of the harmful spurious feature of a class is sufficient to trigger the prediction of that class. We introduce a novel dataset "Spurious ImageNet" and check how much existing classifiers rely on spurious features.  ( 2 min )

This supplementary paper aims to introduce the Multidimensional Service Quality Scoring System (MSQs), a review-based method for quantifying host service quality mentioned and employed in the paper Exit and transition: Exploring the survival status of Airbnb listings in a time of professionalization. MSQs is not an end-to-end implementation and is essentially composed of three pipelines, namely Data Collection and Preprocessing, Objects Recognition and Grouping, and Aspect-based Service Scoring. Using the study mentioned above as a case, the technical details of MSQs are explained in this article.  ( 2 min )

This paper proposes a novel multivariate definition of statistical dependence using a functional methodology inspired by Alfred R\'enyi. We define a new symmetric and self-adjoint cross density kernel through a recursive bidirectional statistical mapping between conditional densities of continuous random processes, which estimates their statistical dependence. Therefore, the kernel eigenspectrum is proposed as a new multivariate statistical dependence measure, and the formulation requires fewer assumptions about the data generation model than current methods. The measure can also be estimated from realizations. The proposed functional maximum correlation algorithm (FMCA) is applied to a learning architecture with two multivariate neural networks. The FMCA optimal solution is an equilibrium point that estimates the eigenspectrum of the cross density kernel. Preliminary results with synthetic data and medium size image datasets corroborate the theory. Four different strategies of applying the cross density kernel are thoroughly discussed and implemented to show the versatility and stability of the methodology, and it transcends supervised learning. When two random processes are high-dimensional real-world images and white uniform noise, respectively, the algorithm learns a factorial code i.e., the occurrence of a code guarantees that a certain input in the training set was present, which is quite important for feature learning.  ( 2 min )

Real-time detection of anomalies in streaming data is receiving increasing attention as it allows us to raise alerts, predict faults, and detect intrusions or threats across industries. Yet, little attention has been given to compare the effectiveness and efficiency of anomaly detectors for streaming data (i.e., of online algorithms). In this paper, we present a qualitative, synthetic overview of major online detectors from different algorithmic families (i.e., distance, density, tree or projection-based) and highlight their main ideas for constructing, updating and testing detection models. Then, we provide a thorough analysis of the results of a quantitative experimental evaluation of online detection algorithms along with their offline counterparts. The behavior of the detectors is correlated with the characteristics of different datasets (i.e., meta-features), thereby providing a meta-level analysis of their performance. Our study addresses several missing insights from the literature such as (a) how reliable are detectors against a random classifier and what dataset characteristics make them perform randomly; (b) to what extent online detectors approximate the performance of offline counterparts; (c) which sketch strategy and update primitives of detectors are best to detect anomalies visible only within a feature subspace of a dataset; (d) what are the tradeoffs between the effectiveness and the efficiency of detectors belonging to different algorithmic families; (e) which specific characteristics of datasets yield an online algorithm to outperform all others.

When beginners learn to speak a non-native language, it is difficult for them to judge for themselves whether they are speaking well. Therefore, computer-assisted pronunciation training systems are used to detect learner mispronunciations. These systems typically compare the user's speech with that of a specific native speaker as a model in units of rhythm, phonemes, or words and calculate the differences. However, they require extensive speech data with detailed annotations or can only compare with one specific native speaker. To overcome these problems, we propose a new language learning support system that calculates speech scores and detects mispronunciations by beginners based on a small amount of unannotated speech data without comparison to a specific person. The proposed system uses deep learning--based speech processing to display the pronunciation score of the learner's speech and the difference/distance between the learner's and a group of models' pronunciation in an intuitively visual manner. Learners can gradually improve their pronunciation by eliminating differences and shortening the distance from the model until they become sufficiently proficient. Furthermore, since the pronunciation score and difference/distance are not calculated compared to specific sentences of a particular model, users are free to study the sentences they wish to study. We also built an application to help non-native speakers learn English and confirmed that it can improve users' speech intelligibility.

Wireless Sensor Network (WSN) applications reshape the trend of warehouse monitoring systems allowing them to track and locate massive numbers of logistic entities in real-time. To support the tasks, classic Radio Frequency (RF)-based localization approaches (e.g. triangulation and trilateration) confront challenges due to multi-path fading and signal loss in noisy warehouse environment. In this paper, we investigate machine learning methods using a new grid-based WSN platform called Sensor Floor that can overcome the issues. Sensor Floor consists of 345 nodes installed across the floor of our logistic research hall with dual-band RF and Inertial Measurement Unit (IMU) sensors. Our goal is to localize all logistic entities, for this study we use a mobile robot. We record distributed sensing measurements of Received Signal Strength Indicator (RSSI) and IMU values as the dataset and position tracking from Vicon system as the ground truth. The asynchronous collected data is pre-processed and trained using Random Forest and Convolutional Neural Network (CNN). The CNN model with regularization outperforms the Random Forest in terms of localization accuracy with aproximate 15 cm. Moreover, the CNN architecture can be configured flexibly depending on the scenario in the warehouse. The hardware, software and the CNN architecture of the Sensor Floor are open-source under https://github.com/FLW-TUDO/sensorfloor.  ( 2 min )

Biomedical image segmentation is one of the fastest growing fields which has seen extensive automation through the use of Artificial Intelligence. This has enabled widespread adoption of accurate techniques to expedite the screening and diagnostic processes which would otherwise take several days to finalize. In this paper, we present an end-to-end pipeline to segment lungs from chest X-ray images, training the neural network model on the Japanese Society of Radiological Technology (JSRT) dataset, using UNet to enable faster processing of initial screening for various lung disorders. The pipeline developed can be readily used by medical centers with just the provision of X-Ray images as input. The model will perform the preprocessing, and provide a segmented image as the final output. It is expected that this will drastically reduce the manual effort involved and lead to greater accessibility in resource-constrained locations.

Recent years have seen rapid progress at the intersection between causality and machine learning. Motivated by scientific applications involving high-dimensional data, in particular in biomedicine, we propose a deep neural architecture for learning causal relationships between variables from a combination of empirical data and prior causal knowledge. We combine convolutional and graph neural networks within a causal risk framework to provide a flexible and scalable approach. Empirical results include linear and nonlinear simulations (where the underlying causal structures are known and can be directly compared against), as well as a real biological example where the models are applied to high-dimensional molecular data and their output compared against entirely unseen validation experiments. These results demonstrate the feasibility of using deep learning approaches to learn causal networks in large-scale problems spanning thousands of variables.

The necessity of data driven decisions in healthcare strategy formulation is rapidly increasing. A reliable framework which helps identify factors impacting a Healthcare Provider Facility or a Hospital (from here on termed as Facility) Market Share is of key importance. This pilot study aims at developing a data driven Machine Learning - Regression framework which aids strategists in formulating key decisions to improve the Facilitys Market Share which in turn impacts in improving the quality of healthcare services. The US (United States) healthcare business is chosen for the study; and the data spanning across 60 key Facilities in Washington State and about 3 years of historical data is considered. In the current analysis Market Share is termed as the ratio of facility encounters to the total encounters among the group of potential competitor facilities. The current study proposes a novel two-pronged approach of competitor identification and regression approach to evaluate and predict market share, respectively. Leveraged model agnostic technique, SHAP, to quantify the relative importance of features impacting the market share. The proposed method to identify pool of competitors in current analysis, develops Directed Acyclic Graphs (DAGs), feature level word vectors and evaluates the key connected components at facility level. This technique is robust since its data driven which minimizes the bias from empirical techniques. Post identifying the set of competitors among facilities, developed Regression model to predict the Market share. For relative quantification of features at a facility level, incorporated SHAP a model agnostic explainer. This helped to identify and rank the attributes at each facility which impacts the market share.  ( 2 min )

To meet the fairly high safety and reliability requirements in practice, the state of health (SOH) estimation of Lithium-ion batteries (LIBs), which has a close relationship with the degradation performance, has been extensively studied with the widespread applications of various electronics. The conventional SOH estimation approaches with digital twin are end-of-cycle estimation that require the completion of a full charge/discharge cycle to observe the maximum available capacity. However, under dynamic operating conditions with partially discharged data, it is impossible to sense accurate real-time SOH estimation for LIBs. To bridge this research gap, we put forward a digital twin framework to gain the capability of sensing the battery's SOH on the fly, updating the physical battery model. The proposed digital twin solution consists of three core components to enable real-time SOH estimation without requiring a complete discharge. First, to handle the variable training cycling data, the energy discrepancy-aware cycling synchronization is proposed to align cycling data with guaranteeing the same data structure. Second, to explore the temporal importance of different training sampling times, a time-attention SOH estimation model is developed with data encoding to capture the degradation behavior over cycles, excluding adverse influences of unimportant samples. Finally, for online implementation, a similarity analysis-based data reconstruction has been put forward to provide real-time SOH estimation without requiring a full discharge cycle. Through a series of results conducted on a widely used benchmark, the proposed method yields the real-time SOH estimation with errors less than 1% for most sampling times in ongoing cycles.  ( 2 min )

Contrastive learning has emerged as a competitive pretraining method for object detection. Despite this progress, there has been minimal investigation into the robustness of contrastively pretrained detectors when faced with domain shifts. To address this gap, we conduct an empirical study of contrastive learning and out-of-domain object detection, studying how contrastive view design affects robustness. In particular, we perform a case study of the detection-focused pretext task Instance Localization (InsLoc) and propose strategies to augment views and enhance robustness in appearance-shifted and context-shifted scenarios. Amongst these strategies, we propose changes to cropping such as altering the percentage used, adding IoU constraints, and integrating saliency based object priors. We also explore the addition of shortcut-reducing augmentations such as Poisson blending, texture flattening, and elastic deformation. We benchmark these strategies on abstract, weather, and context domain shifts and illustrate robust ways to combine them, in both pretraining on single-object and multi-object image datasets. Overall, our results and insights show how to ensure robustness through the choice of views in contrastive learning.  ( 2 min )

In this paper, we present a simple yet surprisingly effective technique to induce "selective amnesia" on a backdoored model. Our approach, called SEAM, has been inspired by the problem of catastrophic forgetting (CF), a long standing issue in continual learning. Our idea is to retrain a given DNN model on randomly labeled clean data, to induce a CF on the model, leading to a sudden forget on both primary and backdoor tasks; then we recover the primary task by retraining the randomized model on correctly labeled clean data. We analyzed SEAM by modeling the unlearning process as continual learning and further approximating a DNN using Neural Tangent Kernel for measuring CF. Our analysis shows that our random-labeling approach actually maximizes the CF on an unknown backdoor in the absence of triggered inputs, and also preserves some feature extraction in the network to enable a fast revival of the primary task. We further evaluated SEAM on both image processing and Natural Language Processing tasks, under both data contamination and training manipulation attacks, over thousands of models either trained on popular image datasets or provided by the TrojAI competition. Our experiments show that SEAM vastly outperforms the state-of-the-art unlearning techniques, achieving a high Fidelity (measuring the gap between the accuracy of the primary task and that of the backdoor) within a few minutes (about 30 times faster than training a model from scratch using the MNIST dataset), with only a small amount of clean data (0.1% of training data for TrojAI models).  ( 2 min )

Deep operator network (DeepONet) has demonstrated great success in various learning tasks, including learning solution operators of partial differential equations. In particular, it provides an efficient approach to predict the evolution equations in a finite time horizon. Nevertheless, the vanilla DeepONet suffers from the issue of stability degradation in the long-time prediction. This paper proposes a {\em transfer-learning} aided DeepONet to enhance the stability. Our idea is to use transfer learning to sequentially update the DeepONets as the surrogates for propagators learned in different time frames. The evolving DeepONets can better track the varying complexities of the evolution equations, while only need to be updated by efficient training of a tiny fraction of the operator networks. Through systematic experiments, we show that the proposed method not only improves the long-time accuracy of DeepONet while maintaining similar computational cost but also substantially reduces the sample size of the training set.  ( 2 min )

This article develops a convex description of a classical or quantum learner's or agent's state of knowledge about its environment, presented as a convex subset of a commutative R-algebra. With caveats, this leads to a generalization of certain semidefinite programs in quantum information (such as those describing the universal query algorithm dual to the quantum adversary bound, related to optimal learning or control of the environment) to the classical and faulty-quantum setting, which would not be possible with a naive description via joint probability distributions over environment and internal memory. More philosophically, it also makes an interpretation of the set of reduced density matrices as "states of knowledge" of an observer of its environment, related to these techniques, more explicit. As another example, I describe and solve a formal differential equation of states of knowledge in that algebra, where an agent obtains experimental data in a Poissonian process, and its state of knowledge evolves as an exponential power series. However, this framework currently lacks impressive applications, and I post it in part to solicit feedback and collaboration on those. In particular, it may be possible to develop it into a new framework for the design of experiments, e.g. the problem of finding maximally informative questions to ask human labelers or the environment in machine-learning problems. The parts of the article not related to quantum information don't assume knowledge of it.  ( 2 min )

Bio-inspired learning has been gaining popularity recently given that Backpropagation (BP) is not considered biologically plausible. Many algorithms have been proposed in the literature which are all more biologically plausible than BP. However, apart from overcoming the biological implausibility of BP, a strong motivation for using Bio-inspired algorithms remains lacking. In this study, we undertake a holistic comparison of BP vs. multiple Bio-inspired algorithms to answer the question of whether Bio-learning offers additional benefits over BP, rather than just biological plausibility. We test Bio-algorithms under different design choices such as access to only partial training data, resource constraints in terms of the number of training epochs, sparsification of the neural network parameters and addition of noise to input samples. Through these experiments, we notably find two key advantages of Bio-algorithms over BP. Firstly, Bio-algorithms perform much better than BP when the entire training dataset is not supplied. Four of the five Bio-algorithms tested outperform BP by upto 5% accuracy when only 20% of the training dataset is available. Secondly, even when the full dataset is available, Bio-algorithms learn much quicker and converge to a stable accuracy in far lesser training epochs than BP. Hebbian learning, specifically, is able to learn in just 5 epochs compared to around 100 epochs required by BP. These insights present practical reasons for utilising Bio-learning rather than just its biological plausibility and also point towards interesting new directions for future work on Bio-learning.  ( 2 min )

Good models require good training data. For overparameterized deep models, the causal relationship between training data and model predictions is increasingly opaque and poorly understood. Influence analysis partially demystifies training's underlying interactions by quantifying the amount each training instance alters the final model. Measuring the training data's influence exactly can be provably hard in the worst case; this has led to the development and use of influence estimators, which only approximate the true influence. This paper provides the first comprehensive survey of training data influence analysis and estimation. We begin by formalizing the various, and in places orthogonal, definitions of training data influence. We then organize state-of-the-art influence analysis methods into a taxonomy; we describe each of these methods in detail and compare their underlying assumptions, asymptotic complexities, and overall strengths and weaknesses. Finally, we propose future research directions to make influence analysis more useful in practice as well as more theoretically and empirically sound. A curated, up-to-date list of resources related to influence analysis is available at https://github.com/ZaydH/influence_analysis_papers.  ( 2 min )

Contrastive learning methods based on InfoNCE loss are popular in node representation learning tasks on graph-structured data. However, its reliance on data augmentation and its quadratic computational complexity might lead to inconsistency and inefficiency problems. To mitigate these limitations, in this paper, we introduce a simple yet effective contrastive model named Localized Graph Contrastive Learning (Local-GCL in short). Local-GCL consists of two key designs: 1) We fabricate the positive examples for each node directly using its first-order neighbors, which frees our method from the reliance on carefully-designed graph augmentations; 2) To improve the efficiency of contrastive learning on graphs, we devise a kernelized contrastive loss, which could be approximately computed in linear time and space complexity with respect to the graph size. We provide theoretical analysis to justify the effectiveness and rationality of the proposed methods. Experiments on various datasets with different scales and properties demonstrate that in spite of its simplicity, Local-GCL achieves quite competitive performance in self-supervised node representation learning tasks on graphs with various scales and properties.  ( 2 min )

While human evaluation is the most reliable metric for evaluating speech generation systems, it is generally costly and time-consuming. Previous studies on automatic speech quality assessment address the problem by predicting human evaluation scores with machine learning models. However, they rely on supervised learning and thus suffer from high annotation costs and domain-shift problems. We propose SpeechLMScore, an unsupervised metric to evaluate generated speech using a speech-language model. SpeechLMScore computes the average log-probability of a speech signal by mapping it into discrete tokens and measures the average probability of generating the sequence of tokens. Therefore, it does not require human annotation and is a highly scalable framework. Evaluation results demonstrate that the proposed metric shows a promising correlation with human evaluation scores on different speech generation tasks including voice conversion, text-to-speech, and speech enhancement.  ( 2 min )

Identifying statistical regularities in solutions to some tasks in multi-task reinforcement learning can accelerate the learning of new tasks. Skill learning offers one way of identifying these regularities by decomposing pre-collected experiences into a sequence of skills. A popular approach to skill learning is maximizing the likelihood of the pre-collected experience with latent variable models, where the latent variables represent the skills. However, there are often many solutions that maximize the likelihood equally well, including degenerate solutions. To address this underspecification, we propose a new objective that combines the maximum likelihood objective with a penalty on the description length of the skills. This penalty incentivizes the skills to maximally extract common structures from the experiences. Empirically, our objective learns skills that solve downstream tasks in fewer samples compared to skills learned from only maximizing likelihood. Further, while most prior works in the offline multi-task setting focus on tasks with low-dimensional observations, our objective can scale to challenging tasks with high-dimensional image observations.  ( 2 min )

To circumvent the non-parallelizability of recurrent neural network-based equalizers, we propose knowledge distillation to recast the RNN into a parallelizable feedforward structure. The latter shows 38\% latency decrease, while impacting the Q-factor by only 0.5dB.  ( 2 min )

Reliable forecasting of traffic flow requires efficient modeling of traffic data. Different correlations and influences arise in a dynamic traffic network, making modeling a complicated task. Existing literature has proposed many different methods to capture the complex underlying spatial-temporal relations of traffic networks. However, methods still struggle to capture different local and global dependencies of long-range nature. Also, as more and more sophisticated methods are being proposed, models are increasingly becoming memory-heavy and, thus, unsuitable for low-powered devices. In this paper, we focus on solving these problems by proposing a novel deep learning framework - STLGRU. Specifically, our proposed STLGRU can effectively capture both local and global spatial-temporal relations of a traffic network using memory-augmented attention and gating mechanism. Instead of employing separate temporal and spatial components, we show that our memory module and gated unit can learn the spatial-temporal dependencies successfully, allowing for reduced memory usage with fewer parameters. We extensively experiment on several real-world traffic prediction datasets to show that our model performs better than existing methods while the memory footprint remains lower. Code is available at \url{https://github.com/Kishor-Bhaumik/STLGRU}.  ( 2 min )

Generative adversarial networks (GANs) are a class of machine-learning models that use adversarial training to generate new samples with the same (potentially very complex) statistics as the training samples. One major form of training failure, known as mode collapse, involves the generator failing to reproduce the full diversity of modes in the target probability distribution. Here, we present an effective model of GAN training, which captures the learning dynamics by replacing the generator neural network with a collection of particles in the output space; particles are coupled by a universal kernel valid for certain wide neural networks and high-dimensional inputs. The generality of our simplified model allows us to study the conditions under which mode collapse occurs. Indeed, experiments which vary the effective kernel of the generator reveal a mode collapse transition, the shape of which can be related to the type of discriminator through the frequency principle. Further, we find that gradient regularizers of intermediate strengths can optimally yield convergence through critical damping of the generator dynamics. Our effective GAN model thus provides an interpretable physical framework for understanding and improving adversarial training.  ( 2 min )

Monitoring changes inside a reservoir in real time is crucial for the success of CO2 injection and long-term storage. Machine learning (ML) is well-suited for real-time CO2 monitoring because of its computational efficiency. However, most existing applications of ML yield only one prediction (i.e., the expectation) for a given input, which may not properly reflect the distribution of the testing data, if it has a shift with respect to that of the training data. The Simultaneous Quantile Regression (SQR) method can estimate the entire conditional distribution of the target variable of a neural network via pinball loss. Here, we incorporate this technique into seismic inversion for purposes of CO2 monitoring. The uncertainty map is then calculated pixel by pixel from a particular prediction interval around the median. We also propose a novel data-augmentation method by sampling the uncertainty to further improve prediction accuracy. The developed methodology is tested on synthetic Kimberlina data, which are created by the Department of Energy and based on a CO2 capture and sequestration (CCS) project in California. The results prove that the proposed network can estimate the subsurface velocity rapidly and with sufficient resolution. Furthermore, the computed uncertainty quantifies the prediction accuracy. The method remains robust even if the testing data are distorted due to problems in the field data acquisition. Another test demonstrates the effectiveness of the developed data-augmentation method in increasing the spatial resolution of the estimated velocity field and in reducing the prediction error.  ( 2 min )

Machine Learning (ML) software has been widely adopted in modern society, with reported fairness implications for minority groups based on race, sex, age, etc. Many recent works have proposed methods to measure and mitigate algorithmic bias in ML models. The existing approaches focus on single classifier-based ML models. However, real-world ML models are often composed of multiple independent or dependent learners in an ensemble (e.g., Random Forest), where the fairness composes in a non-trivial way. How does fairness compose in ensembles? What are the fairness impacts of the learners on the ultimate fairness of the ensemble? Can fair learners result in an unfair ensemble? Furthermore, studies have shown that hyperparameters influence the fairness of ML models. Ensemble hyperparameters are more complex since they affect how learners are combined in different categories of ensembles. Understanding the impact of ensemble hyperparameters on fairness will help programmers design fair ensembles. Today, we do not understand these fully for different ensemble algorithms. In this paper, we comprehensively study popular real-world ensembles: bagging, boosting, stacking and voting. We have developed a benchmark of 168 ensemble models collected from Kaggle on four popular fairness datasets. We use existing fairness metrics to understand the composition of fairness. Our results show that ensembles can be designed to be fairer without using mitigation techniques. We also identify the interplay between fairness composition and data characteristics to guide fair ensemble design. Finally, our benchmark can be leveraged for further research on fair ensembles. To the best of our knowledge, this is one of the first and largest studies on fairness composition in ensembles yet presented in the literature.  ( 2 min )

To achieve autonomy in a priori unknown real-world scenarios, agents should be able to: i) act from high-dimensional sensory observations (e.g., images), ii) learn from past experience to adapt and improve, and iii) be capable of long horizon planning. Classical planning algorithms (e.g. PRM, RRT) are proficient at handling long-horizon planning. Deep learning based methods in turn can provide the necessary representations to address the others, by modeling statistical contingencies between observations. In this direction, we introduce a general-purpose planning algorithm called PALMER that combines classical sampling-based planning algorithms with learning-based perceptual representations. For training these perceptual representations, we combine Q-learning with contrastive representation learning to create a latent space where the distance between the embeddings of two states captures how easily an optimal policy can traverse between them. For planning with these perceptual representations, we re-purpose classical sampling-based planning algorithms to retrieve previously observed trajectory segments from a replay buffer and restitch them into approximately optimal paths that connect any given pair of start and goal states. This creates a tight feedback loop between representation learning, memory, reinforcement learning, and sampling-based planning. The end result is an experiential framework for long-horizon planning that is significantly more robust and sample efficient compared to existing methods.  ( 2 min )

Establishing open and general benchmarks has been a critical driving force behind the success of modern machine learning techniques. As machine learning is being applied to broader domains and tasks, there is a need to establish richer and more diverse benchmarks to better reflect the reality of the application scenarios. Graph learning is an emerging field of machine learning that urgently needs more and better benchmarks. To accommodate the need, we introduce Graph Learning Indexer (GLI), a benchmark curation platform for graph learning. In comparison to existing graph learning benchmark libraries, GLI highlights two novel design objectives. First, GLI is designed to incentivize \emph{dataset contributors}. In particular, we incorporate various measures to minimize the effort of contributing and maintaining a dataset, increase the usability of the contributed dataset, as well as encourage attributions to different contributors of the dataset. Second, GLI is designed to curate a knowledge base, instead of a plain collection, of benchmark datasets. We use multiple sources of meta information to augment the benchmark datasets with \emph{rich characteristics}, so that they can be easily selected and used in downstream research or development. The source code of GLI is available at \url{https://github.com/Graph-Learning-Benchmarks/gli}.  ( 2 min )

Network intrusion detection systems (NIDSs) play an important role in computer network security. There are several detection mechanisms where anomaly-based automated detection outperforms others significantly. Amid the sophistication and growing number of attacks, dealing with large amounts of data is a recognized issue in the development of anomaly-based NIDS. However, do current models meet the needs of today's networks in terms of required accuracy and dependability? In this research, we propose a new hybrid model that combines machine learning and deep learning to increase detection rates while securing dependability. Our proposed method ensures efficient pre-processing by combining SMOTE for data balancing and XGBoost for feature selection. We compared our developed method to various machine learning and deep learning algorithms to find a more efficient algorithm to implement in the pipeline. Furthermore, we chose the most effective model for network intrusion based on a set of benchmarked performance analysis criteria. Our method produces excellent results when tested on two datasets, KDDCUP'99 and CIC-MalMem-2022, with an accuracy of 99.99% and 100% for KDDCUP'99 and CIC-MalMem-2022, respectively, and no overfitting or Type-1 and Type-2 issues.  ( 2 min )

Accurate diagnosis of Alzheimer's disease (AD) is both challenging and time consuming. With a systematic approach for early detection and diagnosis of AD, steps can be taken towards the treatment and prevention of the disease. This study explores the practical application of deep learning models for diagnosis of AD. Due to computational complexity, large training times and limited availability of labelled dataset, a 3D full brain CNN (convolutional neural network) is not commonly used, and researchers often prefer 2D CNN variants. In this study, full brain 3D version of well-known 2D CNNs were designed, trained and tested for diagnosis of various stages of AD. Deep learning approach shows good performance in differentiating various stages of AD for more than 1500 full brain volumes. Along with classification, the deep learning model is capable of extracting features which are key in differentiating the various categories. The extracted features align with meaningful anatomical landmarks, that are currently considered important in identification of AD by experts. An ensemble of all the algorithm was also tested and the performance of the ensemble algorithm was superior to any individual algorithm, further improving diagnosis ability. The 3D versions of the trained CNNs and their ensemble have the potential to be incorporated in software packages that can be used by physicians/radiologists to assist them in better diagnosis of AD.  ( 2 min )

Rating a video based on its content is an important step for classifying video age categories. Movie content rating and TV show rating are the two most common rating systems established by professional committees. However, manually reviewing and evaluating scene/film content by a committee is a tedious work and it becomes increasingly difficult with the ever-growing amount of online video content. As such, a desirable solution is to use computer vision based video content analysis techniques to automate the evaluation process. In this paper, related works are summarized for action recognition, multi-modal learning, movie genre classification, and sensitive content detection in the context of content moderation and movie content rating. The project page is available at https://github.com/fcakyon/content-moderation-deep-learning}.  ( 2 min )

GAN vocoders are currently one of the state-of-the-art methods for building high-quality neural waveform generative models. However, most of their architectures require dozens of billion floating-point operations per second (GFLOPS) to generate speech waveforms in samplewise manner. This makes GAN vocoders still challenging to run on normal CPUs without accelerators or parallel computers. In this work, we propose a new architecture for GAN vocoders that mainly depends on recurrent and fully-connected networks to directly generate the time domain signal in framewise manner. This results in considerable reduction of the computational cost and enables very fast generation on both GPUs and low-complexity CPUs. Experimental results show that our Framewise WaveGAN vocoder achieves significantly higher quality than auto-regressive maximum-likelihood vocoders such as LPCNet at a very low complexity of 1.2 GFLOPS. This makes GAN vocoders more practical on edge and low-power devices.  ( 2 min )

Any quantum computing application, once encoded as a quantum circuit, must be compiled before being executable on a quantum computer. Similar to classical compilation, quantum compilation is a sequential process with many compilation steps and numerous possible optimization passes. Despite the similarities, the development of compilers for quantum computing is still in its infancy-lacking mutual consolidation on the best sequence of passes, compatibility, adaptability, and flexibility. In this work, we take advantage of decades of classical compiler optimization and propose a reinforcement learning framework for developing optimized quantum circuit compilation flows. Through distinct constraints and a unifying interface, the framework supports the combination of techniques from different compilers and optimization tools in a single compilation flow. Experimental evaluations show that the proposed framework-set up with a selection of compilation passes from IBM's Qiskit and Quantinuum's TKET-significantly outperforms both individual compilers in over 70% of cases regarding the expected fidelity. The framework is available on GitHub (https://github.com/cda-tum/MQTPredictor).  ( 2 min )

We investigate the problem of recovering a partially observed high-rank matrix whose columns obey a nonlinear structure such as a union of subspaces, an algebraic variety or grouped in clusters. The recovery problem is formulated as the rank minimization of a nonlinear feature map applied to the original matrix, which is then further approximated by a constrained non-convex optimization problem involving the Grassmann manifold. We propose two sets of algorithms, one arising from Riemannian optimization and the other as an alternating minimization scheme, both of which include first- and second-order variants. Both sets of algorithms have theoretical guarantees. In particular, for the alternating minimization, we establish global convergence and worst-case complexity bounds. Additionally, using the Kurdyka-Lojasiewicz property, we show that the alternating minimization converges to a unique limit point. We provide extensive numerical results for the recovery of union of subspaces and clustering under entry sampling and dense Gaussian sampling. Our methods are competitive with existing approaches and, in particular, high accuracy is achieved in the recovery using Riemannian second-order methods.  ( 2 min )

This paper proposes a novel kernel-based optimization scheme to handle tasks in the analysis, e.g., signal spectral estimation and single-channel source separation of 1D non-stationary oscillatory data. The key insight of our optimization scheme for reconstructing the time-frequency information is that when a nonparametric regression is applied on some input values, the output regressed points would lie near the oscillatory pattern of the oscillatory 1D signal only if these input values are a good approximation of the ground-truth phase function. In this work, Gaussian Process (GP) is chosen to conduct this nonparametric regression: the oscillatory pattern is encoded as the Pattern-inducing Points (PiPs) which act as the training data points in the GP regression; while the targeted phase function is fed in to compute the correlation kernels, acting as the testing input. Better approximated phase function generates more precise kernels, thus resulting in smaller optimization loss error when comparing the kernel-based regression output with the original signals. To the best of our knowledge, this is the first algorithm that can satisfactorily handle fully non-stationary oscillatory data, close and crossover frequencies, and general oscillatory patterns. Even in the example of a signal {produced by slow variation in the parameters of a trigonometric expansion}, we show that PiPs admits competitive or better performance in terms of accuracy and robustness than existing state-of-the-art algorithms.  ( 2 min )

Diffusion-based generative models have demonstrated a capacity for perceptually impressive synthesis, but can they also be great likelihood-based models? We answer this in the affirmative, and introduce a family of diffusion-based generative models that obtain state-of-the-art likelihoods on standard image density estimation benchmarks. Unlike other diffusion-based models, our method allows for efficient optimization of the noise schedule jointly with the rest of the model. We show that the variational lower bound (VLB) simplifies to a remarkably short expression in terms of the signal-to-noise ratio of the diffused data, thereby improving our theoretical understanding of this model class. Using this insight, we prove an equivalence between several models proposed in the literature. In addition, we show that the continuous-time VLB is invariant to the noise schedule, except for the signal-to-noise ratio at its endpoints. This enables us to learn a noise schedule that minimizes the variance of the resulting VLB estimator, leading to faster optimization. Combining these advances with architectural improvements, we obtain state-of-the-art likelihoods on image density estimation benchmarks, outperforming autoregressive models that have dominated these benchmarks for many years, with often significantly faster optimization. In addition, we show how to use the model as part of a bits-back compression scheme, and demonstrate lossless compression rates close to the theoretical optimum. Code is available at https://github.com/google-research/vdm .  ( 2 min )

We present a meta-method for initializing (seeding) the $k$-means clustering algorithm called PNN-smoothing. It consists in splitting a given dataset into $J$ random subsets, clustering each of them individually, and merging the resulting clusterings with the pairwise-nearest-neighbor (PNN) method. It is a meta-method in the sense that when clustering the individual subsets any seeding algorithm can be used. If the computational complexity of that seeding algorithm is linear in the size of the data $N$ and the number of clusters $k$, PNN-smoothing is also almost linear with an appropriate choice of $J$, and quite competitive in practice. We show empirically, using several existing seeding methods and testing on several synthetic and real datasets, that this procedure results in systematically better costs. In particular, our method of enhancing $k$-means++ seeding proves superior in both effectiveness and speed compared to the popular "greedy" $k$-means++ variant. Our implementation is publicly available at https://github.com/carlobaldassi/KMeansPNNSmoothing.jl.  ( 2 min )

Generative adversarial networks (GANs) are a class of machine-learning models that use adversarial training to generate new samples with the same (potentially very complex) statistics as the training samples. One major form of training failure, known as mode collapse, involves the generator failing to reproduce the full diversity of modes in the target probability distribution. Here, we present an effective model of GAN training, which captures the learning dynamics by replacing the generator neural network with a collection of particles in the output space; particles are coupled by a universal kernel valid for certain wide neural networks and high-dimensional inputs. The generality of our simplified model allows us to study the conditions under which mode collapse occurs. Indeed, experiments which vary the effective kernel of the generator reveal a mode collapse transition, the shape of which can be related to the type of discriminator through the frequency principle. Further, we find that gradient regularizers of intermediate strengths can optimally yield convergence through critical damping of the generator dynamics. Our effective GAN model thus provides an interpretable physical framework for understanding and improving adversarial training.

Motivated by personalized healthcare and other applications involving sensitive data, we study online exploration in reinforcement learning with differential privacy (DP) constraints. Existing work on this problem established that no-regret learning is possible under joint differential privacy (JDP) and local differential privacy (LDP) but did not provide an algorithm with optimal regret. We close this gap for the JDP case by designing an $\epsilon$-JDP algorithm with a regret of $\widetilde{O}(\sqrt{SAH^2T}+S^2AH^3/\epsilon)$ which matches the information-theoretic lower bound of non-private learning for all choices of $\epsilon> S^{1.5}A^{0.5} H^2/\sqrt{T}$. In the above, $S$, $A$ denote the number of states and actions, $H$ denotes the planning horizon, and $T$ is the number of steps. To the best of our knowledge, this is the first private RL algorithm that achieves \emph{privacy for free} asymptotically as $T\rightarrow \infty$. Our techniques -- which could be of independent interest -- include privately releasing Bernstein-type exploration bonuses and an improved method for releasing visitation statistics. The same techniques also imply a slightly improved regret bound for the LDP case.

Denoising diffusion models have recently marked a milestone in high-quality image generation. One may thus wonder if they are suitable for neural image compression. This paper outlines an end-to-end optimized image compression framework based on a conditional diffusion model, drawing on the transform-coding paradigm. Besides the latent variables inherent to the diffusion process, this paper introduces an additional discrete ``content'' latent variable to condition the denoising process. This variable is equipped with a hierarchical prior for entropy coding. The remaining ``texture'' latent variables characterizing the diffusion process are synthesized (either stochastically or deterministically) at decoding time. We furthermore show that the performance can be tuned toward perceptual metrics of interest. Our extensive experiments involving five datasets and sixteen image quality assessment metrics show that our approach not only compares favorably in rate-perceptual quality but also shows close distortion performance with state-of-the-art models.

The optimal binning is the optimal discretization of a variable into bins given a discrete or continuous numeric target. We present a rigorous and extensible mathematical programming formulation for solving the optimal binning problem for a binary, continuous and multi-class target type, incorporating constraints not previously addressed. For all three target types, we introduce a convex mixed-integer programming formulation. Several algorithmic enhancements, such as automatic determination of the most suitable monotonic trend via a Machine-Learning-based classifier and implementation aspects are thoughtfully discussed. The new mathematical programming formulations are carefully implemented in the open-source python library OptBinning.

We introduce a deep learning model that can universally approximate regular conditional distributions (RCDs). The proposed model operates in three phases: first, it linearizes inputs from a given metric space $\mathcal{X}$ to $\mathbb{R}^d$ via a feature map, then a deep feedforward neural network processes these linearized features, and then the network's outputs are then transformed to the $1$-Wasserstein space $\mathcal{P}_1(\mathbb{R}^D)$ via a probabilistic extension of the attention mechanism of Bahdanau et al.\ (2014). Our model, called the \textit{probabilistic transformer (PT)}, can approximate any continuous function from $\mathbb{R}^d $ to $\mathcal{P}_1(\mathbb{R}^D)$ uniformly on compact sets, quantitatively. We identify two ways in which the PT avoids the curse of dimensionality when approximating $\mathcal{P}_1(\mathbb{R}^D)$-valued functions. The first strategy builds functions in $C(\mathbb{R}^d,\mathcal{P}_1(\mathbb{R}^D))$ which can be efficiently approximated by a PT, uniformly on any given compact subset of $\mathbb{R}^d$. In the second approach, given any function $f$ in $C(\mathbb{R}^d,\mathcal{P}_1(\mathbb{R}^D))$, we build compact subsets of $\mathbb{R}^d$ whereon $f$ can be efficiently approximated by a PT.

The brain's spatial orientation system uses different neuron ensembles to aid in environment-based navigation. One of the ways brains encode spatial information is through grid cells, layers of decked neurons that overlay to provide environment-based navigation. These neurons fire in ensembles where several neurons fire at once to activate a single grid. We want to capture this firing structure and use it to decode grid cell data. Understanding, representing, and decoding these neural structures require models that encompass higher order connectivity than traditional graph-based models may provide. To that end, in this work, we develop a topological deep learning framework for neural spike train decoding. Our framework combines unsupervised simplicial complex discovery with the power of deep learning via a new architecture we develop herein called a simplicial convolutional recurrent neural network (SCRNN). Simplicial complexes, topological spaces that use not only vertices and edges but also higher-dimensional objects, naturally generalize graphs and capture more than just pairwise relationships. Additionally, this approach does not require prior knowledge of the neural activity beyond spike counts, which removes the need for similarity measurements. The effectiveness and versatility of the SCRNN is demonstrated on head direction data to test its performance and then applied to grid cell datasets with the task to automatically predict trajectories.  ( 2 min )

Fingerprints are key tools in climate change detection and attribution (D&A) that are used to determine whether changes in observations are different from internal climate variability (detection), and whether observed changes can be assigned to specific external drivers (attribution). We propose a direct D&A approach based on supervised learning to extract fingerprints that lead to robust predictions under relevant interventions on exogenous variables, i.e., climate drivers other than the target. We employ anchor regression, a distributionally-robust statistical learning method inspired by causal inference that extrapolates well to perturbed data under the interventions considered. The residuals from the prediction achieve either uncorrelatedness or mean independence with the exogenous variables, thus guaranteeing robustness. We define D&A as a unified hypothesis testing framework that relies on the same statistical model but uses different targets and test statistics. In the experiments, we first show that the CO2 forcing can be robustly predicted from temperature spatial patterns under strong interventions on the solar forcing. Second, we illustrate attribution to the greenhouse gases and aerosols while protecting against interventions on the aerosols and CO2 forcing, respectively. Our study shows that incorporating robustness constraints against relevant interventions may significantly benefit detection and attribution of climate change.  ( 2 min )

We study the relationship between adversarial robustness and differential privacy in high-dimensional algorithmic statistics. We give the first black-box reduction from privacy to robustness which can produce private estimators with optimal tradeoffs among sample complexity, accuracy, and privacy for a wide range of fundamental high-dimensional parameter estimation problems, including mean and covariance estimation. We show that this reduction can be implemented in polynomial time in some important special cases. In particular, using nearly-optimal polynomial-time robust estimators for the mean and covariance of high-dimensional Gaussians which are based on the Sum-of-Squares method, we design the first polynomial-time private estimators for these problems with nearly-optimal samples-accuracy-privacy tradeoffs. Our algorithms are also robust to a constant fraction of adversarially-corrupted samples.  ( 2 min )

As causal inference becomes more widespread the importance of having good tools to test for causal effects increases. In this work we focus on the problem of testing for causal effects that manifest in a difference in distribution for treatment and control. We build on work applying kernel methods to causality, considering the previously introduced Counterfactual Mean Embedding framework (\textsc{CfME}). We improve on this by proposing the \emph{Doubly Robust Counterfactual Mean Embedding} (\textsc{DR-CfME}), which has better theoretical properties than its predecessor by leveraging semiparametric theory. This leads us to propose new kernel based test statistics for distributional effects which are based upon doubly robust estimators of treatment effects. We propose two test statistics, one which is a direct improvement on previous work and one which can be applied even when the support of the treatment arm is a subset of that of the control arm. We demonstrate the validity of our methods on simulated and real-world data, as well as giving an application in off-policy evaluation.  ( 2 min )

The Extremal River Problem has emerged as a flagship problem for causal discovery in extreme values of a network. The task is to recover a river network from only extreme flow measured at a set $V$ of stations, without any information on the stations' locations. We present QTree, a new simple and efficient algorithm to solve the Extremal River Problem that performs very well compared to existing methods on hydrology data and in simulations. QTree returns a root-directed tree and achieves almost perfect recovery on the Upper Danube network data, the existing benchmark data set, as well as on new data from the Lower Colorado River network in Texas. It can handle missing data, has an automated parameter tuning procedure, and runs in time $O(n |V|^2)$, where $n$ is the number of observations and $|V|$ the number of nodes in the graph. Furthermore, we prove that the QTree estimator is consistent under a Bayesian network model for extreme values with noise. We also assess the small sample behaviour of QTree through simulations and detail the strengths and possible limitations of QTree.  ( 2 min )

A main research goal in various studies is to use an observational data set and provide a new set of counterfactual guidelines that can yield causal improvements. Dynamic Treatment Regimes (DTRs) are widely studied to formalize this process. However, available methods in finding optimal DTRs often rely on assumptions that are violated in real-world applications (e.g., medical decision-making or public policy), especially when (a) the existence of unobserved confounders cannot be ignored, and (b) the unobserved confounders are time-varying (e.g., affected by previous actions). When such assumptions are violated, one often faces ambiguity regarding the underlying causal model. This ambiguity is inevitable, since the dynamics of unobserved confounders and their causal impact on the observed part of the data cannot be understood from the observed data. Motivated by a case study of finding superior treatment regimes for patients who underwent transplantation in our partner hospital and faced a medical condition known as New Onset Diabetes After Transplantation (NODAT), we extend DTRs to a new class termed Ambiguous Dynamic Treatment Regimes (ADTRs), in which the causal impact of treatment regimes is evaluated based on a "cloud" of causal models. We then connect ADTRs to Ambiguous Partially Observable Mark Decision Processes (APOMDPs) and develop Reinforcement Learning methods, which enable using the observed data to efficiently learn an optimal treatment regime. We establish theoretical results for these learning methods, including (weak) consistency and asymptotic normality. We further evaluate the performance of these learning methods both in our case study and in simulation experiments.  ( 2 min )

Recently, Robey et al. propose a notion of probabilistic robustness, which, at a high-level, requires a classifier to be robust to most but not all perturbations. They show that for certain hypothesis classes where proper learning under worst-case robustness is \textit{not} possible, proper learning under probabilistic robustness \textit{is} possible with sample complexity exponentially smaller than in the worst-case robustness setting. This motivates the question of whether proper learning under probabilistic robustness is always possible. In this paper, we show that this is \textit{not} the case. We exhibit examples of hypothesis classes $\mathcal{H}$ with finite VC dimension that are \textit{not} probabilistically robustly PAC learnable with \textit{any} proper learning rule. However, if we compare the output of the learner to the best hypothesis for a slightly \textit{stronger} level of probabilistic robustness, we show that not only is proper learning \textit{always} possible, but it is possible via empirical risk minimization.  ( 2 min )

Unsupervised discretization is a crucial step in many knowledge discovery tasks. The state-of-the-art method for one-dimensional data infers locally adaptive histograms using the minimum description length (MDL) principle, but the multi-dimensional case is far less studied: current methods consider the dimensions one at a time (if not independently), which result in discretizations based on rectangular cells of adaptive size. Unfortunately, this approach is unable to adequately characterize dependencies among dimensions and/or results in discretizations consisting of more cells (or bins) than is desirable. To address this problem, we propose an expressive model class that allows for far more flexible partitions of two-dimensional data. We extend the state of the art for the one-dimensional case to obtain a model selection problem based on the normalized maximum likelihood, a form of refined MDL. As the flexibility of our model class comes at the cost of a vast search space, we introduce a heuristic algorithm, named PALM, which Partitions each dimension ALternately and then Merges neighboring regions, all using the MDL principle. Experiments on synthetic data show that PALM 1) accurately reveals ground truth partitions that are within the model class (i.e., the search space), given a large enough sample size; 2) approximates well a wide range of partitions outside the model class; 3) converges, in contrast to the state-of-the-art multivariate discretization method IPD. Finally, we apply our algorithm to three spatial datasets, and we demonstrate that, compared to kernel density estimation (KDE), our algorithm not only reveals more detailed density changes, but also fits unseen data better, as measured by the log-likelihood.  ( 3 min )